Geometry & MOs

Info

ID:	158622
PubChem CID:	56464328
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-43.78
Dipole, Da:	4.49
IP(EA), eV:	-8.72(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)C

DOS

IR

Vibrations