Geometry & MOs

Info

ID:

447209

PubChem CID:

135281194

Reduced:

BrSO2N4C17H17 (1)

Stoich.:

ABC2D4E17F17 (1)

Weight, g/mol:

1036.252011

ΔHf, kcal/mol:

-6.21

Dipole, Da:

3.76

IP(EA), eV:

 -8.82(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-N-[5-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]benzamide;4-amino-N-[5-[3-[(4-aminobenzoyl)amino]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)NS(=O)(=O)C)NC2=NC=C3C=C(C=CC3=N2)Br

DOS

IR

Vibrations