Geometry & MOs

Info

ID:	344286
PubChem CID:	127267462
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	310.119654
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	4.52
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-pentoxyacetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3C(=O)NCC3(C)C

DOS

IR

Vibrations