Geometry & MOs

Info

ID:	67642
PubChem CID:	46506884
Reduced:	SN2O8C23H26 (1)
Stoich.:	AB2C8D23E26 (1)
Weight, g/mol:	494.09145
ΔH_f, kcal/mol:	-280.08
Dipole, Da:	8.69
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(5-chloro-2-methoxyphenyl)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(=C(C=C3)OC)OC

DOS

IR

Vibrations