Geometry & MOs

Info

ID:	335578
PubChem CID:	127254440
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-20.4
Dipole, Da:	4.08
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(2-methylpropyl)indol-3-yl]ethyl]-2-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C=CC=C3

DOS

IR

Vibrations