Geometry & MOs

Info

ID:

305047

PubChem CID:

124766462

Reduced:

NO3H23C27 (1)

Stoich.:

AB3C23D27 (1)

Weight, g/mol:

403.133907

ΔHf, kcal/mol:

-26.63

Dipole, Da:

1.99

IP(EA), eV:

 -8.86(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,7R,13S,17R)-2-(4-chlorophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](C=C[C@H]([C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations