Geometry & MOs

Info

ID:	427581
PubChem CID:	135160214
Reduced:	SN2O3F4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	465.133397
ΔH_f, kcal/mol:	-283.49
Dipole, Da:	11.23
IP(EA), eV:	-8.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfinylindol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1CN(CC(N1S(=O)C2=CC=CC3=C2CC(C3)C(=O)O)C)C4=CC(=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations