Geometry & MOs

Info

ID:	126060
PubChem CID:	50950161
Reduced:	O2N6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	331.121529
ΔH_f, kcal/mol:	51.14
Dipole, Da:	3.79
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzotriazol-1-yl)ethyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=NC2=N1)C(=O)NCC3=CN(N=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations