Geometry & MOs

Info

ID:

161260

PubChem CID:

57391181

Reduced:

SO3N5C28H29 (1)

Stoich.:

AB3C5D28E29 (1)

Weight, g/mol:

705.370176

ΔHf, kcal/mol:

-3.83

Dipole, Da:

5.65

IP(EA), eV:

 -8.87(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-(pyridin-2-ylmethoxy)pyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

CCC1C2CCC(C2)C1NC(=O)CSC3=NC4=CC=CC=C4C5=NC(=O)C(=NN53)C6=CC=C(C=C6)OC

DOS

IR

Vibrations