Geometry & MOs

Info

ID:

218818

PubChem CID:

85090026

Reduced:

SF2N2O7C23H28 (1)

Stoich.:

AB2C2D7E23F28 (1)

Weight, g/mol:

514.17335

ΔHf, kcal/mol:

-319.45

Dipole, Da:

4.08

IP(EA), eV:

 -8.66(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[[(4-methoxy-2,3,5-trimethylphenyl)sulfonylamino]-nitromethylidene]amino]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C(C(=O)NC1=C(C=CC(=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC)OC)(F)F

DOS

IR

Vibrations