Geometry & MOs

Info

ID:	166282
PubChem CID:	74662646
Reduced:	NSF3O4C9H15 (1)
Stoich.:	ABC3D4E9F15 (1)
Weight, g/mol:	360.025475
ΔH_f, kcal/mol:	-325.47
Dipole, Da:	4.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757448
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione

Drug info:

PubChemData

Smile

CC(C(=O)OCC(F)(F)F)[NH2+]C1CCS(=O)(=O)C1

DOS

IR

Vibrations