Geometry & MOs

Info

ID:	379296
PubChem CID:	134357414
Reduced:	ClFSO2N3H13C20 (1)
Stoich.:	ABCD2E3F13G20 (1)
Weight, g/mol:	458.138817
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	2.79
IP(EA), eV:	-9.21(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-2-(trifluoromethyl)phenyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfanylindol-6-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CN(C2=C1C=CC(=C2)C3=CN=C(C=C3)F)SC4=CN=C(C=C4)Cl

DOS

IR

Vibrations