Geometry & MOs

Info

ID:	339824
PubChem CID:	127261833
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	396.192818
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	10.9
IP(EA), eV:	-9.78(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(5-amino-7-chloro-6-oxoheptyl)-N-[(2S)-1-amino-1-oxopropan-2-yl]-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](CC2=CC=CC=C2)N

DOS

IR

Vibrations