Geometry & MOs

Info

ID:	175876
PubChem CID:	75964520
Reduced:	OSF2N7H21C26 (1)
Stoich.:	ABC2D7E21F26 (1)
Weight, g/mol:	469.10723
ΔH_f, kcal/mol:	9.21
Dipole, Da:	3.39
IP(EA), eV:	-8.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dichlorophenyl)-1-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethylamino)propan-2-yl]-3-methyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)C2=NC=CN=C2NCC3=CC=C(S3)C4=CC5=C(C=C4)N=CN=C5N

DOS

IR

Vibrations