Geometry & MOs

Info

ID:	427160
PubChem CID:	135155775
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	531.01136
ΔH_f, kcal/mol:	-160.56
Dipole, Da:	5.47
IP(EA), eV:	-8.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(=S)NCC1=CC(=CC=C1)C(=O)OC

DOS

IR

Vibrations