Geometry & MOs

Info

ID:	440176
PubChem CID:	135230085
Reduced:	N4O6C35H38 (1)
Stoich.:	A4B6C35D38 (1)
Weight, g/mol:	703.641336
ΔH_f, kcal/mol:	-113.82
Dipole, Da:	5.13
IP(EA), eV:	-8.55(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[2-[2-[(Z)-heptadec-8-enyl]-3-(4-sulfanylbutyl)imidazolidin-1-yl]ethyl]octadec-9-enamide

Drug info:

PubChemData

Smile

C/C=C/OC1=C(C=C2C(=C1)C(=O)N3C=C(C[C@H]3C=N2)C)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=CN6C5=O)C)OC

DOS

IR

Vibrations