Geometry & MOs

Info

ID:	152344
PubChem CID:	56311259
Reduced:	ClO2F3N3C22H23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	474.208947
ΔH_f, kcal/mol:	-219.09
Dipole, Da:	4.66
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations