Geometry & MOs

Info

ID:	17178
PubChem CID:	487038
Reduced:	NS2O5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	325.007865
ΔH_f, kcal/mol:	-144.42
Dipole, Da:	6.28
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-formamidothiophen-3-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1S(=O)(=O)C2=C(SC=C2)NC=O

DOS

IR

Vibrations