Geometry & MOs

Info

ID:	358310
PubChem CID:	127295855
Reduced:	S2O3N5C16H21 (1)
Stoich.:	A2B3C5D16E21 (1)
Weight, g/mol:	365.188546
ΔH_f, kcal/mol:	-58.55
Dipole, Da:	7.65
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations