Geometry & MOs

Info

ID:	84925
PubChem CID:	49870677
Reduced:	ClNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	427.115462
ΔH_f, kcal/mol:	-134.39
Dipole, Da:	5.14
IP(EA), eV:	-9.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-8-(4-fluorophenyl)sulfanyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CNC(=O)CCC/C=C\C[C@H]1C(=O)CC=C1/C=C/[C@H](COC2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations