Geometry & MOs

Info

ID:	321503
PubChem CID:	126666449
Reduced:	FOSN5C21H22 (1)
Stoich.:	ABCD5E21F22 (1)
Weight, g/mol:	511.132352
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	3.03
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-[(2S)-1,1,1-trifluorohexan-2-yl]pyridine-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

C1C[C@@H]([C@H](C1)NC(=O)C2=C(C=CC=N2)N3CCC3)NC4=NC5=C(S4)C=C(C=C5)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

C1C[C@@H]([C@H](C1)NC(=O)C2=C(C=CC=N2)N3CCC3)NC4=NC5=C(S4)C=C(C=C5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):