Geometry & MOs

Info

ID:	158389
PubChem CID:	56463553
Reduced:	OSN3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	414.245333
ΔH_f, kcal/mol:	-24.37
Dipole, Da:	3.0
IP(EA), eV:	-8.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC(C)N(C)C2=CC=CC=C2

DOS

IR

Vibrations