Geometry & MOs

Info

ID:	122246
PubChem CID:	50799438
Reduced:	ClS2N3O6H20C21 (1)
Stoich.:	AB2C3D6E20F21 (1)
Weight, g/mol:	489.102828
ΔH_f, kcal/mol:	-181.42
Dipole, Da:	7.24
IP(EA), eV:	-8.94(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)Cl

DOS

IR

Vibrations