Geometry & MOs

Info

ID:

13949

PubChem CID:

400742

Reduced:

SN7O9C23H25 (1)

Stoich.:

AB7C9D23E25 (1)

Weight, g/mol:

575.143447

ΔHf, kcal/mol:

-61.46

Dipole, Da:

8.92

IP(EA), eV:

 -9.17(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[1-[(2,5-dinitrophenyl)hydrazinylidene]-2-methylpropan-2-yl]sulfanyl-4-oxoazetidin-3-yl]-2-methyl-2-(2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CC(C)(C=NNC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])SC2C(C(=O)N2)NC(=O)C(C)(C)OC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations