Geometry & MOs

Info

ID:

13698

PubChem CID:

396978

Reduced:

S2N4O9H24C26 (1)

Stoich.:

A2B4C9D24E26 (1)

Weight, g/mol:

600.098471

ΔHf, kcal/mol:

-95.2

Dipole, Da:

8.19

IP(EA), eV:

 -9.07(-2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CN(C2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations