Geometry & MOs

Info

ID:	43340
PubChem CID:	10321153
Reduced:	N2O3C27H42 (1)
Stoich.:	A2B3C27D42 (1)
Weight, g/mol:	442.254166
ΔH_f, kcal/mol:	-167.26
Dipole, Da:	7.36
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6E)-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trien-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations