Geometry & MOs

Info

ID:	175067
PubChem CID:	75850959
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	388.041519
ΔH_f, kcal/mol:	-123.72
Dipole, Da:	6.1
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyanopropyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC=C(C=C2)OC

DOS

IR

Vibrations