Geometry & MOs

Info

ID:	192941
PubChem CID:	78326415
Reduced:	SO3N5C7H9 (1)
Stoich.:	AB3C5D7E9 (1)
Weight, g/mol:	606.302848
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	5.87
IP(EA), eV:	-10.26(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxospiro[1,2,3,4a,6,10b-hexahydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1NC(=O)C2=NC=NC2=N1

DOS

IR

Vibrations