Geometry & MOs

Info

ID:	339818
PubChem CID:	127261827
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	7.37
IP(EA), eV:	-9.83(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations