Geometry & MOs

Info

ID:	174004
PubChem CID:	75711712
Reduced:	N3O3C28H43 (1)
Stoich.:	A3B3C28D43 (1)
Weight, g/mol:	499.377392
ΔH_f, kcal/mol:	-153.49
Dipole, Da:	6.14
IP(EA), eV:	-9.18(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[hexyl-[1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)hept-3-en-2-yl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C=CCCC)C(=O)NC1CCCCC1)C(=O)CNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations