Geometry & MOs

Info

ID:	151428
PubChem CID:	53801263
Reduced:	IC3F6 (2)
Stoich.:	AB3C6 (2)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-557.55
Dipole, Da:	2.09
IP(EA), eV:	-10.92(-2.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[2-(hydroxymethyl)-4-sulfanyl-1H-pyrrole-3-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C(C(C(F)(F)I)(F)F)(C(C(C(F)(F)F)(F)F)(F)I)(F)F

DOS

IR

Vibrations