Geometry & MOs

Info

ID:

141811

PubChem CID:

52931857

Reduced:

O2N5C30H47 (1)

Stoich.:

A2B5C30D47 (1)

Weight, g/mol:

493.341676

ΔHf, kcal/mol:

-98.93

Dipole, Da:

6.9

IP(EA), eV:

 -9.04(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-1,1-dicyclohexyl-3-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethylamino)propan-2-yl]-1-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N[C@H](C(C1CCCCC1)C2CCCCC2)C(=O)NCC3=CN=C4C(=C3)C=CN4)NC

DOS

IR

Vibrations