Geometry & MOs

Info

ID:	36275
PubChem CID:	7985348
Reduced:	NSCl2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	356.099477
ΔH_f, kcal/mol:	-136.11
Dipole, Da:	1.98
IP(EA), eV:	-9.41(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC(=O)CSC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations