Geometry & MOs

Info

ID:	49942
PubChem CID:	11538270
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	386.24571
ΔH_f, kcal/mol:	-92.6
Dipole, Da:	5.15
IP(EA), eV:	-9.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S,5S)-5-[(2R,3E,6S,7E)-2,6-dimethyl-8-phenylocta-3,7-dienyl]-3,5-dimethyldioxolan-3-yl]acetate

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=C(C=C2)C#N)O)C(C)(C)C

DOS

IR

Vibrations