Geometry & MOs

Info

ID:

81987

PubChem CID:

49855444

Reduced:

N2O3C15H20 (1)

Stoich.:

A2B3C15D20 (1)

Weight, g/mol:

763.395836

ΔHf, kcal/mol:

-92.28

Dipole, Da:

3.41

IP(EA), eV:

 -9.56(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[5-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazol-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)NO

DOS

IR

Vibrations