Geometry & MOs

Info

ID:	236283
PubChem CID:	92712201
Reduced:	FSO2N5H24C28 (1)
Stoich.:	ABC2D5E24F28 (1)
Weight, g/mol:	513.163474
ΔH_f, kcal/mol:	1.02
Dipole, Da:	3.2
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-phenyl-2H-imidazo[1,2-c]quinazolin-3-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4C5=N[C@H](C(=O)N53)C6=CC=CC=C6

DOS

IR

Vibrations