Geometry & MOs

Info

ID:

322367

PubChem CID:

126669927

Reduced:

FN2O3C31H33 (1)

Stoich.:

AB2C3D31E33 (1)

Weight, g/mol:

671.358388

ΔHf, kcal/mol:

-115.06

Dipole, Da:

4.38

IP(EA), eV:

 -8.67(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[3-methyl-5-phenyl-4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCC1=CC(=CC(=C1)F)C2=CC(=NC3=CC=CC=C32)C(C)NCC4=CC(=CC=C4)OC

DOS

IR

Vibrations