Geometry & MOs

Info

ID:

299514

PubChem CID:

117687148

Reduced:

OF8H10C22 (1)

Stoich.:

AB8C10D22 (1)

Weight, g/mol:

683.287468

ΔHf, kcal/mol:

-318.02

Dipole, Da:

7.1

IP(EA), eV:

-9.11(-1.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R)-4-[[(2R)-2-acetamido-3-carboxypropanoyl]amino]-5-[[1-[[(2R)-1-[[(2R)-1-amino-3-(1-ethyltriazol-4-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=C(C(=C2F)F)F)F)C3=C(C=CC4=C3C(=C(C(=C4F)F)F)F)OC

DOS

IR

Vibrations