Geometry & MOs

Info

ID:	375571
PubChem CID:	134213975
Reduced:	OSN2H20C22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	588.584532
ΔH_f, kcal/mol:	45.03
Dipole, Da:	6.2
IP(EA), eV:	-8.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,8,14,18,26,30-hexamethyl-27-propan-2-yl-11-bicyclo[20.8.0]triacontanyl) formate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)S(=O)C3=CC=CC4=C3N2C5=C(C4(C)C)C=CC=N5

DOS

IR

Vibrations