Geometry & MOs

Info

ID:	1262
PubChem CID:	4061
Reduced:	SO2C25H40 (1)
Stoich.:	AB2C25D40 (1)
Weight, g/mol:	404.274902
ΔH_f, kcal/mol:	-130.22
Dipole, Da:	2.83
IP(EA), eV:	-8.87(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(1-methoxycyclopentyl)oxy-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecane

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2OC4(CCCC4)OC)CCC5C3(CC6C(C5)S6)C

DOS

IR

Vibrations