Geometry & MOs

Info

ID:	38545
PubChem CID:	8137028
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	323.103669
ΔH_f, kcal/mol:	-75.09
Dipole, Da:	6.69
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

DOS

IR

Vibrations