Geometry & MOs

Info

ID:	151703
PubChem CID:	56269661
Reduced:	O2N4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	33.74
Dipole, Da:	3.11
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(2-methylpropyl)indol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3NC(=O)C5CC5

DOS

IR

Vibrations