Geometry & MOs

Info

ID:	166089
PubChem CID:	74636528
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	362.066949
ΔH_f, kcal/mol:	-131.35
Dipole, Da:	3.89
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1C2CC(CCC2NN1)NS(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations