Geometry & MOs

Info

ID:	33885
PubChem CID:	7888600
Reduced:	N2O7H16C21 (1)
Stoich.:	A2B7C16D21 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-195.3
Dipole, Da:	5.67
IP(EA), eV:	-9.01(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-ethylphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC

DOS

IR

Vibrations