Geometry & MOs

Info

ID:	165808
PubChem CID:	74600407
Reduced:	SN3O6C11H13 (1)
Stoich.:	AB3C6D11E13 (1)
Weight, g/mol:	448.081461
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	7.36
IP(EA), eV:	-9.88(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-nitrophenyl)sulfonyl-1-phenylmethoxycarbonylpiperazine-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC([NH2+]1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations