Geometry & MOs

Info

ID:	73763
PubChem CID:	48420367
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-104.27
Dipole, Da:	2.14
IP(EA), eV:	-10.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(1H-indole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCCN2C=NC=N2

DOS

IR

Vibrations