Geometry & MOs

Info

ID:	282420
PubChem CID:	103926282
Reduced:	NOSC18H27 (1)
Stoich.:	ABCD18E27 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	3.52
IP(EA), eV:	-8.44(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[(5-methyl-2-nitrobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NC2CCCOC3=C(C=CC=C23)C

DOS

IR

Vibrations