Geometry & MOs

Info

ID:	157109
PubChem CID:	56422143
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	392.182396
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	4.92
IP(EA), eV:	-8.67(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C1=CC2=C(C=C1)NC=C2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)C

DOS

IR

Vibrations