Geometry & MOs

Info

ID:	236282
PubChem CID:	92712189
Reduced:	FSO2N4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	513.163474
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	5.39
IP(EA), eV:	-8.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=N[C@H](C(=O)N42)C5=CC=CC=C5)F

DOS

IR

Vibrations