Geometry & MOs

Info

ID:	67641
PubChem CID:	46506882
Reduced:	ClSN2O6C21H21 (1)
Stoich.:	ABC2D6E21F21 (1)
Weight, g/mol:	490.140987
ΔH_f, kcal/mol:	-209.2
Dipole, Da:	8.26
IP(EA), eV:	-8.69(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(3,4-dimethoxyphenyl)sulfonylmethyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)OC)CS(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations