Geometry & MOs

Info

ID:	379294
PubChem CID:	134357321
Reduced:	OSF2N4H20C22 (1)
Stoich.:	ABC2D4E20F22 (1)
Weight, g/mol:	532.092315
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	2.46
IP(EA), eV:	-8.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfanylindol-6-amine

Drug info:

PubChemData

Smile

CNCC1=CN(C2=C1C=CC(=C2)NC3=C(C(=C(C=C3)F)OC)F)SC4=CN=CC=C4

DOS

IR

Vibrations