Geometry & MOs

Info

ID:	67598
PubChem CID:	46506791
Reduced:	ClSN2O8C22H23 (1)
Stoich.:	ABC2D8E22F23 (1)
Weight, g/mol:	474.146072
ΔH_f, kcal/mol:	-275.05
Dipole, Da:	10.12
IP(EA), eV:	-8.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CS(=O)(=O)C3=C(C=CC(=C3)Cl)OC)C(=O)OC)OC

DOS

IR

Vibrations