Geometry & MOs

Info

ID:	403774
PubChem CID:	135061789
Reduced:	ClFSN3O4H17C20 (1)
Stoich.:	ABCD3E4F17G20 (1)
Weight, g/mol:	420.183778
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	7.39
IP(EA), eV:	-8.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

COC(=O)CC1=C2C=CC(CN2C3=C1C=CC(=N3)Cl)NS(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations