Geometry & MOs

Info

ID:

391863

PubChem CID:

135010339

Reduced:

ON3H17C19 (1)

Stoich.:

AB3C17D19 (1)

Weight, g/mol:

435.131802

ΔHf, kcal/mol:

56.65

Dipole, Da:

2.22

IP(EA), eV:

 -8.34(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (13S,15R)-2-[(4-methoxyphenyl)methyl]-3-oxo-7,9,18-trioxa-2-azapentacyclo[13.2.1.01,13.04,12.06,10]octadeca-4,6(10),11,16-tetraene-13-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C2=NC=C(O2)C3=CNC4=CC=CC=C43)N

DOS

IR

Vibrations