Geometry & MOs

Info

ID:	347232
PubChem CID:	127271773
Reduced:	SO3N5C16H29 (1)
Stoich.:	AB3C5D16E29 (1)
Weight, g/mol:	392.170454
ΔH_f, kcal/mol:	-113.8
Dipole, Da:	10.67
IP(EA), eV:	-8.74(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)N(C)C(=O)CNS(=O)(=O)C2=CN(C(=N2)C)C

DOS

IR

Vibrations