Geometry & MOs

Info

ID:	156316
PubChem CID:	56370061
Reduced:	ClN5O5H10C16 (1)
Stoich.:	AB5C5D10E16 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	39.19
Dipole, Da:	4.59
IP(EA), eV:	-9.41(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)N3C=CN=C3

DOS

IR

Vibrations