Geometry & MOs

Info

ID:	312350
PubChem CID:	126604373
Reduced:	SO2F3N4H13C17 (1)
Stoich.:	AB2C3D4E13F17 (1)
Weight, g/mol:	250.229666
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	3.36
IP(EA), eV:	-8.32(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,7Z)-3-[(Z)-hex-3-enyl]-3-methyldeca-4,7-dien-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CN=C(C=C3)OCC(F)(F)F)SO

DOS

IR

Vibrations