Geometry & MOs

Info

ID:	148903
PubChem CID:	53788573
Reduced:	OS2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	621.072316
ΔH_f, kcal/mol:	-64.54
Dipole, Da:	1.34
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfonylphenyl)sulfonylethyl N-[2,2-bis(4-nitrophenyl)ethoxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CCCCCOC(=S)SCCCCC

DOS

IR

Vibrations