Geometry & MOs

Info

ID:

437606

PubChem CID:

135226653

Reduced:

F3N5O5C41H44 (1)

Stoich.:

A3B5C5D41E44 (1)

Weight, g/mol:

756.349855

ΔHf, kcal/mol:

-270.93

Dipole, Da:

1.92

IP(EA), eV:

 -8.91(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-4-oxo-2-[(4R)-2-oxo-3-[(4S)-2-oxo-4-phenyloxolan-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)C(C(=O)NCC3=CC(=CC=C3)C(F)(F)F)N4[C@@H](C(C4=O)N5[C@H](COC5=O)C6=CC=CC=C6)/C=C/C7=CC=CC=C7

DOS

IR

Vibrations