Geometry & MOs

Info

ID:

165807

PubChem CID:

74600406

Reduced:

SN3O4C15H24 (1)

Stoich.:

AB3C4D15E24 (1)

Weight, g/mol:

315.052506

ΔHf, kcal/mol:

-146.58

Dipole, Da:

6.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754622

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-nitrophenyl)sulfonylpiperazin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations