Geometry & MOs

Info

ID:

226849

PubChem CID:

87558617

Reduced:

ClSF3O5N6H30C32 (1)

Stoich.:

ABC3D5E6F30G32 (1)

Weight, g/mol:

556.114515

ΔHf, kcal/mol:

-182.98

Dipole, Da:

6.89

IP(EA), eV:

 -8.82(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(N-[3-[2-hydroxyethyl(propyl)amino]-2-methylsulfonyloxy-3-oxopropyl]-2,4-dinitroanilino)ethyl methanesulfonate

Drug info:

PubChemData

Smile

C[C@H](C1=C(C(=CC=C1)OCC2CCNCC2)Cl)OC3=C(SC(=C3)N4C=NC5=C4C=CC(=C5)C6=CN(N=C6)C)C(=O)NOC(=O)C(F)(F)F

DOS

IR

Vibrations