Geometry & MOs

Info

ID:

47248

PubChem CID:

10530943

Reduced:

PN2O8H27C29 (1)

Stoich.:

AB2C8D27E29 (1)

Weight, g/mol:

562.082821

ΔHf, kcal/mol:

-200.56

Dipole, Da:

6.92

IP(EA), eV:

 -9.37(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)C

DOS

IR

Vibrations