Geometry & MOs

Info

ID:	426140
PubChem CID:	135141170
Reduced:	FNSH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	461.152161
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	0.96
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[5-(oxan-4-ylcarbamoyl)thiophen-3-yl]pyridin-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=CSC(=C2F)C

DOS

IR

Vibrations