Geometry & MOs

Info

ID:	404014
PubChem CID:	135064376
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	412.055149
ΔH_f, kcal/mol:	-203.59
Dipole, Da:	1.38
IP(EA), eV:	-9.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzenesulfonyl)-N-[cyano(phenyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H](COC)[C@@H](C1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations