Geometry & MOs

Info

ID:

305102

PubChem CID:

124766526

Reduced:

BrN2O3H13C16 (1)

Stoich.:

AB2C3D13E16 (1)

Weight, g/mol:

493.20603

ΔHf, kcal/mol:

-4.09

Dipole, Da:

2.61

IP(EA), eV:

 -9.97(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,6R,8R,9S)-N-[2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations