Geometry & MOs

Info

ID:

302252

PubChem CID:

124360902

Reduced:

N2O7C26H26 (1)

Stoich.:

A2B7C26D26 (1)

Weight, g/mol:

500.209341

ΔHf, kcal/mol:

-181.04

Dipole, Da:

5.49

IP(EA), eV:

 -8.59(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R)-N-[(2R)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC(=O)C4=CC=CO4)OC)OC)OC

DOS

IR

Vibrations