Geometry & MOs

Info

ID:	177679
PubChem CID:	76213432
Reduced:	ClSN2O4H15C24 (1)
Stoich.:	ABC2D4E15F24 (1)
Weight, g/mol:	541.27407
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	8.54
IP(EA), eV:	-8.8(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(3-fluoro-2-methylphenyl)methyl]-7-hydroxy-1-phenylindolizine-3-carbonyl]piperazin-2-yl]hexan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(S3)C(=C4C5=C(C=CC(=C5)Cl)N(C4=O)C(=O)N)O

DOS

IR

Vibrations