Geometry & MOs

Info

ID:	186002
PubChem CID:	77376215
Reduced:	S2N3O5C26H43 (1)
Stoich.:	A2B3C5D26E43 (1)
Weight, g/mol:	376.141452
ΔH_f, kcal/mol:	-229.39
Dipole, Da:	7.37
IP(EA), eV:	-8.62(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]-5a,6,7,8,9,9a-hexahydroimidazo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CCCCCCOC1=CC2=C(C=C1)C3CC4C(CCCN4S(=O)(=O)CCCNS(=O)(=O)C)CN3CC2

DOS

IR

Vibrations