Geometry & MOs

Info

ID:	49774
PubChem CID:	11533811
Reduced:	N3O4C32H37 (1)
Stoich.:	A3B4C32D37 (1)
Weight, g/mol:	527.154863
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	7.8
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3E)-3-[(R)-tert-butylsulfinyl]imino-1-(4-nitrophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC(=C2)CC(C)(C)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)C

DOS

IR

Vibrations