Geometry & MOs

Info

ID:

328730

PubChem CID:

126726960

Reduced:

SCl2N2F4O4C25H26 (1)

Stoich.:

AB2C2D4E4F25G26 (1)

Weight, g/mol:

573.287257

ΔHf, kcal/mol:

-343.26

Dipole, Da:

5.21

IP(EA), eV:

 -9.47(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[[2-[1-acetyloxy-4-methyl-3-[methyl(pentanoyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3CCN(CC3)CC4=C(C(=CC(=C4)C(F)(F)F)Cl)Cl)F

DOS

IR

Vibrations