Geometry & MOs

Info

ID:	317507
PubChem CID:	126640059
Reduced:	ClSN2O3C7H8 (1)
Stoich.:	ABC2D3E7F8 (1)
Weight, g/mol:	370.096283
ΔH_f, kcal/mol:	-52.16
Dipole, Da:	5.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.044583
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-5,5-dimethyl-2-(2,2,2-trifluoroethylsulfanyl)-1,6-dihydrobenzo[h]quinazolin-4-one

Drug info:

PubChemData

Smile

C[N+](=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

DOS

IR

Vibrations