Geometry & MOs

Info

ID:	174002
PubChem CID:	75711710
Reduced:	N3O4C32H41 (1)
Stoich.:	A3B4C32D41 (1)
Weight, g/mol:	443.314792
ΔH_f, kcal/mol:	-140.62
Dipole, Da:	4.16
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=C(C=CC2=CC=CC=C21)OC)C(=O)NCCCC)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations