Geometry & MOs

Info

ID:	358314
PubChem CID:	127295859
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	381.183461
ΔH_f, kcal/mol:	-77.8
Dipole, Da:	7.17
IP(EA), eV:	-8.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

DOS

IR

Vibrations