Geometry & MOs

Info

ID:	171386
PubChem CID:	75370426
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-61.27
Dipole, Da:	7.66
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-prop-2-enylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCCCC3=NC=CS3

DOS

IR

Vibrations