Geometry & MOs

Info

ID:	40983
PubChem CID:	8145066
Reduced:	FSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	322.113984
ΔH_f, kcal/mol:	-75.06
Dipole, Da:	5.9
IP(EA), eV:	-8.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C

DOS

IR

Vibrations