Geometry & MOs

Info

ID:

325092

PubChem CID:

126680602

Reduced:

O3C10H11 (2)

Stoich.:

A3B10C11 (2)

Weight, g/mol:

750.351667

ΔHf, kcal/mol:

-241.25

Dipole, Da:

10.36

IP(EA), eV:

 -9.57(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S,3R)-1-[(2S)-2-[6-[(2R,5S)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)OC)C(=O)OC2=C(C(=C(C(=C2)C)C(=O)O)O)C)C

DOS

IR

Vibrations