Geometry & MOs

Info

ID:	67643
PubChem CID:	46506886
Reduced:	ClSN2O7C22H23 (1)
Stoich.:	ABC2D7E22F23 (1)
Weight, g/mol:	436.076279
ΔH_f, kcal/mol:	-256.94
Dipole, Da:	9.8
IP(EA), eV:	-8.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-methoxyphenyl)-2-oxo-6-(thiophen-2-ylsulfonylmethyl)-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=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations