Geometry & MOs

Info

ID:	444559
PubChem CID:	135262853
Reduced:	ClN2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	517.175931
ΔH_f, kcal/mol:	4.85
Dipole, Da:	4.95
IP(EA), eV:	-9.09(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC=C2C(C3=CC=CC=C3)N.Cl

DOS

IR

Vibrations