Geometry & MOs

Info

ID:	352258
PubChem CID:	127283340
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	351.172896
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	6.32
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations