Geometry & MOs

Info

ID:	404979
PubChem CID:	135071988
Reduced:	NSO3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	-136.13
Dipole, Da:	5.35
IP(EA), eV:	-9.6(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-4-[(2R,3E)-2,5-dimethylhexa-3,5-dienoxy]but-2-enoxy]methylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CC2(CCCCC2)CC(=C)C

DOS

IR

Vibrations