Geometry & MOs

Info

ID:	214244
PubChem CID:	84974773
Reduced:	ClON2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	397.130757
ΔH_f, kcal/mol:	8.1
Dipole, Da:	5.23
IP(EA), eV:	-8.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylsulfanyl-2-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations