Geometry & MOs

Info

ID:	67597
PubChem CID:	46506789
Reduced:	SN2O7C25H30 (1)
Stoich.:	AB2C7D25E30 (1)
Weight, g/mol:	510.086365
ΔH_f, kcal/mol:	-255.74
Dipole, Da:	8.42
IP(EA), eV:	-8.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(NC(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)OC

DOS

IR

Vibrations