Geometry & MOs

Info

ID:

215410

PubChem CID:

85084693

Reduced:

SO6C55H98 (1)

Stoich.:

AB6C55D98 (1)

Weight, g/mol:

888.456863

ΔHf, kcal/mol:

-410.03

Dipole, Da:

1.53

IP(EA), eV:

 -8.93(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[[3-methyl-1-oxo-1-[4-phenylmethoxy-2-[[3-[4-(trifluoromethyl)phenyl]-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)propyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCSCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC

DOS

IR

Vibrations