Geometry & MOs

Info

ID:	125493
PubChem CID:	50926398
Reduced:	ClO2S2N3H18C22 (1)
Stoich.:	AB2C2D3E18F22 (1)
Weight, g/mol:	409.120861
ΔH_f, kcal/mol:	-7.34
Dipole, Da:	1.92
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,5-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4=CC=CC=C4Cl)C

DOS

IR

Vibrations