Geometry & MOs

Info

ID:

422979

PubChem CID:

135118719

Reduced:

N5O6C26H39 (1)

Stoich.:

A5B6C26D39 (1)

Weight, g/mol:

425.24269

ΔHf, kcal/mol:

-250.7

Dipole, Da:

7.37

IP(EA), eV:

 -9.42(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,4R)-N-(2-methoxyethyl)-2-(3-methylbut-2-enyl)-7-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)COC)CC2=CC=CC=C2)C)C(C)C

DOS

IR

Vibrations