Geometry & MOs

Info

ID:	146776
PubChem CID:	53747914
Reduced:	NO2C21H41 (1)
Stoich.:	AB2C21D41 (1)
Weight, g/mol:	884.725776
ΔH_f, kcal/mol:	-158.38
Dipole, Da:	3.09
IP(EA), eV:	-9.25(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-octadec-9-enoyl-3,4-dioxohenicos-12-enyl) 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCNC(=O)C(C)O

DOS

IR

Vibrations