Geometry & MOs

Info

ID:

231737

PubChem CID:

87574540

Reduced:

NC3O6H7 (1)

Stoich.:

AB3C6D7 (1)

Weight, g/mol:

658.301407

ΔHf, kcal/mol:

-180.93

Dipole, Da:

5.18

IP(EA), eV:

-10.55(-1.83)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

ethyl (1S,4R,6S,7E,14S,18R)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-11-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)O)O.[N+](=O)(O)[O-]

DOS

IR

Vibrations