Geometry & MOs

Info

ID:	194023
PubChem CID:	78469873
Reduced:	NO4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	367.015545
ΔH_f, kcal/mol:	-108.34
Dipole, Da:	5.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.135543
Charge, e:	-1

Chem-info

IUPAC name:

3-(2-chloro-5-nitrophenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1=CC=C(C=C1)C)[NH2+]CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations