Geometry & MOs

Info

ID:

305151

PubChem CID:

124766584

Reduced:

ClN2O3H17C22 (1)

Stoich.:

AB2C3D17E22 (1)

Weight, g/mol:

414.157957

ΔHf, kcal/mol:

-14.67

Dipole, Da:

6.06

IP(EA), eV:

 -8.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,7R,13S,17R)-2-(3-nitrophenyl)-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

C1[C@@H]2C=C[C@@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl

DOS

IR

Vibrations