Geometry & MOs

Info

ID:	431140
PubChem CID:	135171210
Reduced:	SF3O3N5H18C21 (1)
Stoich.:	AB3C3D5E18F21 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	-146.93
Dipole, Da:	4.08
IP(EA), eV:	-9.4(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-3-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(C=C(C=C1)N2C=NC=N2)N3C(=C(C=N3)C4=CC=C(C=C4)OC(F)(F)F)C

DOS

IR

Vibrations