Geometry & MOs

Info

ID:	175014
PubChem CID:	75845849
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	426.091725
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	2.84
IP(EA), eV:	-8.95(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)OC(=O)CC2CC3CCC2C3

DOS

IR

Vibrations