Geometry & MOs

Info

ID:	350232
PubChem CID:	127277310
Reduced:	S2O3N5C16H21 (1)
Stoich.:	A2B3C5D16E21 (1)
Weight, g/mol:	381.183461
ΔH_f, kcal/mol:	-62.47
Dipole, Da:	5.24
IP(EA), eV:	-9.29(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations