Geometry & MOs

Info

ID:	339970
PubChem CID:	127261979
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	7.78
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methyl-N-(4-nitrophenyl)butanamide

Drug info:

PubChemData

Smile

C1C(C(=O)CO1)N([C@@H](CC2=CC=CC=C2)C(=O)N)C(=O)[C@H](CC3=CNC4=CC=CC=C43)N

DOS

IR

Vibrations