Geometry & MOs

Info

ID:

14593

PubChem CID:

415683

Reduced:

S2N6O9H24C27 (1)

Stoich.:

A2B6C9D24E27 (1)

Weight, g/mol:

640.104619

ΔHf, kcal/mol:

-277.63

Dipole, Da:

8.26

IP(EA), eV:

 -8.73(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

DOS

IR

Vibrations