Geometry & MOs

Info

ID:	222274
PubChem CID:	85295952
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	293.979422
ΔH_f, kcal/mol:	-238.52
Dipole, Da:	2.42
IP(EA), eV:	-9.89(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-3-sulfanylidene-2,4,12-trithia-3lambda5-phosphatetracyclo[6.2.1.13,6.01,6]dodecane

Drug info:

PubChemData

Smile

CC1=C2C(CCC(C2(CCC1=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations