Geometry & MOs

Info

ID:

315881

PubChem CID:

126629245

Reduced:

OSN2F4C21H22 (1)

Stoich.:

ABC2D4E21F22 (1)

Weight, g/mol:

564.342404

ΔHf, kcal/mol:

-201.45

Dipole, Da:

5.14

IP(EA), eV:

 -8.74(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2S)-2-[[(E)-4-(2-ethyl-3-methylquinolin-7-yl)-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NC2=C(C=C(C(=C2)SCC(F)(F)F)C)F)N3CCOCC3

DOS

IR

Vibrations