Geometry & MOs

Info

ID:	57643
PubChem CID:	22429315
Reduced:	SCl2N2O2H22C25 (1)
Stoich.:	AB2C2D2E22F25 (1)
Weight, g/mol:	474.037182
ΔH_f, kcal/mol:	-52.48
Dipole, Da:	7.02
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN2C3=C(C4=C(S3)CCCC4)C(=O)N(C2=O)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations