Geometry & MOs

Info

ID:	340490
PubChem CID:	127262501
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	5.85
IP(EA), eV:	-8.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(thiophene-2-carbonyl)phenyl]methyl piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=C(C=C2S(=O)(=O)N)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations