Geometry & MOs

Info

ID:	354594
PubChem CID:	127287211
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	3.24
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C

DOS

IR

Vibrations