Geometry & MOs

Info

ID:	193251
PubChem CID:	78364109
Reduced:	FON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	0.6
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopropyl)-3-phenyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydroquinazolin-4-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=N2)NC(=O)C=CC3=CC=C(C=C3)F

DOS

IR

Vibrations