Geometry & MOs

Info

ID:

436970

PubChem CID:

135213399

Reduced:

FO2N4C21H23 (1)

Stoich.:

AB2C4D21E23 (1)

Weight, g/mol:

770.476455

ΔHf, kcal/mol:

-78.05

Dipole, Da:

7.53

IP(EA), eV:

 -8.22(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1C(CC2CN(CC1N2)C(=O)NC3=C(C=CC(=C3)C4=CC=C(C=C4)F)N)C=O

DOS

IR

Vibrations