Geometry & MOs

Info

ID:	67195
PubChem CID:	46506039
Reduced:	ClSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	422.071862
ΔH_f, kcal/mol:	-89.4
Dipole, Da:	7.66
IP(EA), eV:	-8.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O

DOS

IR

Vibrations