Geometry & MOs

Info

ID:	67432
PubChem CID:	46506470
Reduced:	NSO3H11C12 (2)
Stoich.:	ABC3D11E12 (2)
Weight, g/mol:	512.082028
ΔH_f, kcal/mol:	-128.16
Dipole, Da:	6.04
IP(EA), eV:	-8.47(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C\2=CC3=C(C(=CC=C3)OC)O/C2=N\NS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations