Geometry & MOs

Info

ID:	339823
PubChem CID:	127261832
Reduced:	O4N5C15H23 (1)
Stoich.:	A4B5C15D23 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	11.33
IP(EA), eV:	-9.71(-1.26)
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)-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations