Geometry & MOs

Info

ID:	38508
PubChem CID:	8136945
Reduced:	ClSN3O4H16C18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	379.064507
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	4.27
IP(EA), eV:	-9.58(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanylethyl 2-[(4-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations