Geometry & MOs

Info

ID:	178053
PubChem CID:	76270057
Reduced:	ClSN3O5H18C19 (1)
Stoich.:	ABC3D5E18F19 (1)
Weight, g/mol:	463.13795
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	7.23
IP(EA), eV:	-9.3(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-phenoxyanilino)ethyl] 2-[(3-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)COC(=O)C(C)NS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1

DOS

IR

Vibrations