Geometry & MOs

Info

ID:

218832

PubChem CID:

85090041

Reduced:

N3O5C30H33 (1)

Stoich.:

A3B5C30D33 (1)

Weight, g/mol:

515.175993

ΔHf, kcal/mol:

-48.23

Dipole, Da:

5.42

IP(EA), eV:

 -8.41(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N(C2CC3CCC2CN3CCC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])OC

DOS

IR

Vibrations