Geometry & MOs

Info

ID:	354694
PubChem CID:	127287393
Reduced:	SO2N5C17H29 (1)
Stoich.:	AB2C5D17E29 (1)
Weight, g/mol:	395.235497
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	5.36
IP(EA), eV:	-8.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(3-morpholin-4-ylbutan-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations