Geometry & MOs

Info

ID:

446871

PubChem CID:

135278380

Reduced:

FNO2C19H22 (1)

Stoich.:

ABC2D19E22 (1)

Weight, g/mol:

929.302526

ΔHf, kcal/mol:

-88.39

Dipole, Da:

1.68

IP(EA), eV:

 -8.1(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-N-[(4-chlorophenyl)methyl]-1-[(2S)-2-[[2-[4-[1-[2-[4-[[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]pyrazol-3-yl]phenyl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F

DOS

IR

Vibrations