Geometry & MOs

Info

ID:	149009
PubChem CID:	53788680
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	420.269816
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	9.37
IP(EA), eV:	-8.27(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadeca-15,17-dien-7-yl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)SC)CN3C=CN=C3

DOS

IR

Vibrations