Geometry & MOs

Info

ID:	54879
PubChem CID:	17389470
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	9.31
IP(EA), eV:	-7.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

aniline;N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)OC)OC.CNC1=CC=CC=C1

DOS

IR

Vibrations