Geometry & MOs

Info

ID:	60733
PubChem CID:	26697524
Reduced:	SN2O3C10H15 (2)
Stoich.:	AB2C3D10E15 (2)
Weight, g/mol:	486.160677
ΔH_f, kcal/mol:	-169.26
Dipole, Da:	4.72
IP(EA), eV:	-8.85(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclopentyl-4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1CCCC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations