Geometry & MOs

Info

ID:	139024
PubChem CID:	52460745
Reduced:	N2S2O3C16H16 (1)
Stoich.:	A2B2C3D16E16 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-42.65
Dipole, Da:	3.61
IP(EA), eV:	-9.17(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2S,3R)-3-methyl-2-phenylpentanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C=CCN(CC=C)C(=O)CN1C(=O)/C(=C\C2=CC=CS2)/SC1=O

DOS

IR

Vibrations