Geometry & MOs

Info

ID:	81832
PubChem CID:	49855229
Reduced:	ClSO3N6H21C25 (1)
Stoich.:	ABC3D6E21F25 (1)
Weight, g/mol:	582.300619
ΔH_f, kcal/mol:	41.15
Dipole, Da:	10.5
IP(EA), eV:	-8.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-4-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenylindolizine-3-carbonyl]piperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC12C=C(C3=CC=CC=C3O2)C4=CC=CC=C4Cl)C5=NC=C(S5)C6=NN(N=N6)CC(=O)O

DOS

IR

Vibrations