Geometry & MOs

Info

ID:	322608
PubChem CID:	126670644
Reduced:	ClOF2N2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	603.15935
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	2.3
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methylpyridin-2-yl)-3,4-dimethylpyrrolidine-2-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

C=C/C(=C(\C=C)/Cl)/C1=C(C(=CC=C1)NC(=O)[C@@H]2C[C@H](CN2)F)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

C=C/C(=C(\C=C)/Cl)/C1=C(C(=CC=C1)NC(=O)[C@@H]2C[C@H](CN2)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):