Geometry & MOs

Info

ID:

405348

PubChem CID:

135073575

Reduced:

SN2O3C20H20 (1)

Stoich.:

AB2C3D20E20 (1)

Weight, g/mol:

626.20465

ΔHf, kcal/mol:

-33.47

Dipole, Da:

8.16

IP(EA), eV:

 -8.74(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-diazonio-1-methoxy-6-[5-methoxy-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-1,4-dioxohex-2-en-2-olate

Drug info:

PubChemData

Smile

CS(=CC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C

DOS

IR

Vibrations