Geometry & MOs

Info

ID:

146403

PubChem CID:

53683971

Reduced:

BrN2O5C25H25 (1)

Stoich.:

AB2C5D25E25 (1)

Weight, g/mol:

555.183935

ΔHf, kcal/mol:

-114.79

Dipole, Da:

7.61

IP(EA), eV:

 -8.87(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 9-(4-fluorophenyl)-3-[2-methoxy-5-[methyl-[(2-methyl-1H-imidazol-5-yl)sulfonyl]amino]phenyl]-1-oxaspiro[4.4]non-3-ene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)N=C(C2=CC(=C(C=C2)OC)OCC3=CC=C(C=C3)CBr)N

DOS

IR

Vibrations