Geometry & MOs

Info

ID:	376833
PubChem CID:	134222860
Reduced:	FO4N6C32H33 (1)
Stoich.:	AB4C6D32E33 (1)
Weight, g/mol:	610.227472
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	8.47
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-fluoro-2-[[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN1CC2=C(C1=O)C=C(C=C2)NC(=O)[C@@H]3C[C@H](CN3C(=O)CN4C=C(C5=C4C=CC(=C5)/C(=C/N=NC)/C=C)C(=O)C)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN1CC2=C(C1=O)C=C(C=C2)NC(=O)[C@@H]3C[C@H](CN3C(=O)CN4C=C(C5=C4C=CC(=C5)/C(=C/N=NC)/C=C)C(=O)C)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):