Geometry & MOs

Info

ID:	195281
PubChem CID:	78668603
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	395.04973
ΔH_f, kcal/mol:	-179.18
Dipole, Da:	3.91
IP(EA), eV:	-9.38(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-thiophen-2-ylethyl) 3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NNC(=O)C

DOS

IR

Vibrations