Geometry & MOs

Info

ID:	57642
PubChem CID:	22429314
Reduced:	ClSN3O5H22C26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	484.077904
ΔH_f, kcal/mol:	-141.78
Dipole, Da:	3.45
IP(EA), eV:	-8.47(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)CC(=O)NC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations