Geometry & MOs

Info

ID:	344097
PubChem CID:	127267273
Reduced:	SN2O4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	322.059898
ΔH_f, kcal/mol:	-152.85
Dipole, Da:	9.26
IP(EA), eV:	-8.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,1-dioxothietan-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1NC(=O)NCC2CS(=O)(=O)C2

DOS

IR

Vibrations