Geometry & MOs

Info

ID:

187169

PubChem CID:

77538609

Reduced:

BrO4C7H11 (1)

Stoich.:

AB4C7D11 (1)

Weight, g/mol:

784.373053

ΔHf, kcal/mol:

-188.39

Dipole, Da:

3.86

IP(EA), eV:

-10.77(-0.52)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[1-[2-[2-hydroxy-3-[[3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(=O)O)CBr)C

DOS

IR

Vibrations