Geometry & MOs

Info

ID:

311686

PubChem CID:

126596872

Reduced:

BrFN4O4H30C31 (1)

Stoich.:

ABC4D4E30F31 (1)

Weight, g/mol:

466.22162

ΔHf, kcal/mol:

-148.51

Dipole, Da:

7.62

IP(EA), eV:

 -9.29(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(10R,11Z,14S)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,11,15,17-heptaen-14-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)O)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5F)C)Br

DOS

IR

Vibrations