Geometry & MOs

Info

ID:	158243
PubChem CID:	56463221
Reduced:	SO2N10C19H28 (1)
Stoich.:	AB2C10D19E28 (1)
Weight, g/mol:	391.175205
ΔH_f, kcal/mol:	68.15
Dipole, Da:	5.93
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methylpropyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations