Geometry & MOs

Info

ID:	192272
PubChem CID:	78250843
Reduced:	OS2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	386.239185
ΔH_f, kcal/mol:	66.47
Dipole, Da:	1.79
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-5-cyclohexyl-5-methyl-1,2,3,4a,6,10b-hexahydrobenzo[h]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3NN=C(N3C4=C(C2=O)C5=C(S4)CCCC5)SCC6=CC=CC=C6

DOS

IR

Vibrations