Geometry & MOs

Info

ID:	161569
PubChem CID:	57392020
Reduced:	SN2O5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	482.151158
ΔH_f, kcal/mol:	-183.62
Dipole, Da:	13.06
IP(EA), eV:	-9.85(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[4-(benzylcarbamoyloxy)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)CNC(=O)C

DOS

IR

Vibrations