Geometry & MOs

Info

ID:

433381

PubChem CID:

135173518

Reduced:

FINSO2C4H7 (1)

Stoich.:

ABCDE2F4G7 (1)

Weight, g/mol:

1145.544218

ΔHf, kcal/mol:

-109.87

Dipole, Da:

4.93

IP(EA), eV:

-9.96(-2.26)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-[[(3R,5S)-1-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]-3,3-dimethylbutanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)S(=O)(=O)I

DOS

IR

Vibrations