Geometry & MOs

Info

ID:	158572
PubChem CID:	56464203
Reduced:	OSN3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	360.198383
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	2.69
IP(EA), eV:	-8.87(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(diethylamino)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)N2CCCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations