Geometry & MOs

Info

ID:	176231
PubChem CID:	76014519
Reduced:	FSO3N4C24H27 (1)
Stoich.:	ABC3D4E24F27 (1)
Weight, g/mol:	383.992461
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	8.51
IP(EA), eV:	-9.26(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-1-sulfanylidene-5a,6,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2NC3CCN(CC3C(=O)N2)CC4=CC=C(C=C4)F

DOS

IR

Vibrations