Geometry & MOs

Info

ID:

311867

PubChem CID:

126598582

Reduced:

N2O2C9H9 (2)

Stoich.:

A2B2C9D9 (2)

Weight, g/mol:

498.356991

ΔHf, kcal/mol:

-96.76

Dipole, Da:

9.87

IP(EA), eV:

 -9.13(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[[(1R)-15-amino-9-(dimethylamino)-3-hydroxy-4-methoxy-1,5,16-trimethyl-12-tetracyclo[9.8.0.02,7.013,18]nonadeca-4,6,13(18),15-tetraenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC#N)OC2=C3C=C(C(=CC3=NC=C2)C(=O)N)O

DOS

IR

Vibrations