Geometry & MOs

Info

ID:	161620
PubChem CID:	57392159
Reduced:	F3N3C22H22 (1)
Stoich.:	A3B3C22D22 (1)
Weight, g/mol:	379.020055
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	5.87
IP(EA), eV:	-8.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)/C=C/C2=NC3=C(N2)C=C(C=C3)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations