Geometry & MOs

Info

ID:	151660
PubChem CID:	56261021
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	417.962338
ΔH_f, kcal/mol:	-13.92
Dipole, Da:	7.23
IP(EA), eV:	-8.6(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5,6-tetrachloro-N-[2-(4-prop-2-ynoxyphenyl)ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C#CCOC1=CC=C(C=C1)CCNC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations