Geometry & MOs

Info

ID:

449741

PubChem CID:

135301075

Reduced:

ClOC31H35 (1)

Stoich.:

ABC31D35 (1)

Weight, g/mol:

854.541832

ΔHf, kcal/mol:

10.06

Dipole, Da:

2.36

IP(EA), eV:

 -8.86(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(dimethylcarbamoyloxy)-2,3,3-trimethylbutanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2,3,3-trimethyl-1-oxobutan-2-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)CC(=C)CCC(=C)CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=CC=C3Cl

DOS

IR

Vibrations