Geometry & MOs

Info

ID:	146633
PubChem CID:	53721249
Reduced:	ClN2O5H13C17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	458.166414
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	3.59
IP(EA), eV:	-9.81(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(anilinomethyl)-2-benzyl-3-phenylmethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

DOS

IR

Vibrations