Geometry & MOs

Info

ID:	155153
PubChem CID:	56320848
Reduced:	ClN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	400.138284
ΔH_f, kcal/mol:	-182.36
Dipole, Da:	7.19
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[(3-hydroxybenzoyl)amino]propylamino]-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)CC(=O)NCCCNC(=O)C3=CC(=CC=C3)O)Cl)OC1

DOS

IR

Vibrations