Geometry & MOs

Info

ID:	122243
PubChem CID:	50799284
Reduced:	ClS2N3O6H20C21 (1)
Stoich.:	AB2C3D6E20F21 (1)
Weight, g/mol:	517.097742
ΔH_f, kcal/mol:	-179.81
Dipole, Da:	8.06
IP(EA), eV:	-8.79(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[5-(4-ethoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations