Geometry & MOs

Info

ID:	285815
PubChem CID:	104133904
Reduced:	ClON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	316.064841
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	5.35
IP(EA), eV:	-9.58(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1,1-dioxothian-4-yl)-6-ethylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)N(C)C2CCCCCC2)Cl

DOS

IR

Vibrations