Geometry & MOs

Info

ID:

320090

PubChem CID:

126658172

Reduced:

N2F3O3H19C21 (1)

Stoich.:

A2B3C3D19E21 (1)

Weight, g/mol:

1131.45654

ΔHf, kcal/mol:

-236.79

Dipole, Da:

8.39

IP(EA), eV:

 -9.24(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2)C(=CC=C3)OCC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations