Geometry & MOs

Info

ID:	122245
PubChem CID:	50799437
Reduced:	ClS2N3O6H18C20 (1)
Stoich.:	AB2C3D6E18F20 (1)
Weight, g/mol:	509.048205
ΔH_f, kcal/mol:	-179.61
Dipole, Da:	7.65
IP(EA), eV:	-8.67(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[[5-(3,4-dimethoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations