Geometry & MOs

Info

ID:	174005
PubChem CID:	75711713
Reduced:	N3O3C30H49 (1)
Stoich.:	A3B3C30D49 (1)
Weight, g/mol:	443.314792
ΔH_f, kcal/mol:	-173.37
Dipole, Da:	3.45
IP(EA), eV:	-9.48(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(butylamino)-1-oxohept-3-en-2-yl]-hexylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C=CCCC)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations