Geometry & MOs

Info

ID:	135716
PubChem CID:	51921325
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	427.174336
ΔH_f, kcal/mol:	-201.21
Dipole, Da:	5.65
IP(EA), eV:	-9.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] (2R)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](C(C)C)C(=O)O[C@H](C)C(=O)NC2CCCCC2

DOS

IR

Vibrations