Geometry & MOs

Info

ID:	127438
PubChem CID:	51002350
Reduced:	SN4O5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	366.07712
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	4.88
IP(EA), eV:	-9.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-hydroxy-1-(3-methoxyphenyl)-6-phenyl-4H-pyrrolo[3,2-b]pyridin-7-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=C(C=C1)CN(CC2=NC(=CC=C2)NCC(=O)O)S(=O)(=O)C3=CN=CC=C3)(C(C)(C)C)O

DOS

IR

Vibrations