Geometry & MOs

Info

ID:	48601
PubChem CID:	11109884
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	6.82
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid

Drug info:

PubChemData

Smile

CC1CCC2=C(C(=CN=C2C1)S(=O)(=O)NC3=CC=CC=C3)C

DOS

IR

Vibrations