Geometry & MOs

Info

ID:	349928
PubChem CID:	127276733
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-126.16
Dipole, Da:	3.59
IP(EA), eV:	-8.96(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylbutanoyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CC1)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

DOS

IR

Vibrations