Geometry & MOs

Info

ID:	183686
PubChem CID:	77057417
Reduced:	SN2O2C7H14 (1)
Stoich.:	AB2C2D7E14 (1)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-67.27
Dipole, Da:	7.7
IP(EA), eV:	-9.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[3-(2-nitrophenyl)prop-2-enoylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)SCC1NC(=O)ON1

DOS

IR

Vibrations