Geometry & MOs

Info

ID:	32092
PubChem CID:	4266038
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	472.162077
ΔH_f, kcal/mol:	-144.69
Dipole, Da:	3.5
IP(EA), eV:	-8.83(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC1CCC=C2C1(C(C3C(C2)OC(=O)C3CN4CCNCC4)O)C

DOS

IR

Vibrations