Geometry & MOs

Info

ID:	427578
PubChem CID:	135160186
Reduced:	ClIOF3H5C8 (1)
Stoich.:	ABCD3E5F8 (1)
Weight, g/mol:	479.112662
ΔH_f, kcal/mol:	-174.36
Dipole, Da:	2.92
IP(EA), eV:	-9.95(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-didehydroindol-1-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)Cl)C(C(F)(F)F)O

DOS

IR

Vibrations