Geometry & MOs

Info

ID:	61940
PubChem CID:	26715997
Reduced:	SN3O6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	497.125671
ΔH_f, kcal/mol:	-164.33
Dipole, Da:	7.87
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)NNC(=O)CC2=CC=C(C=C2)OC)OC

DOS

IR

Vibrations