Geometry & MOs

Info

ID:	213579
PubChem CID:	81064258
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	312.077993
ΔH_f, kcal/mol:	-132.64
Dipole, Da:	3.03
IP(EA), eV:	-9.87(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CC1

DOS

IR

Vibrations