Geometry & MOs

Info

ID:	203292
PubChem CID:	79808893
Reduced:	ClNS2O4C12H18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	338.004944
ΔH_f, kcal/mol:	-168.84
Dipole, Da:	6.42
IP(EA), eV:	-9.85(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-ylmethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC=C1C(=O)NC(COC)C(C)C)S(=O)(=O)Cl

DOS

IR

Vibrations