Geometry & MOs

Info

ID:	25157
PubChem CID:	619996
Reduced:	O3C20H38 (1)
Stoich.:	A3B20C38 (1)
Weight, g/mol:	312.154787
ΔH_f, kcal/mol:	-197.1
Dipole, Da:	3.48
IP(EA), eV:	-10.17(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyran-3-thione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(=O)C(=O)OCC

DOS

IR

Vibrations