Geometry & MOs

Info

ID:

445107

PubChem CID:

135264547

Reduced:

FSN2O3C24H27 (1)

Stoich.:

ABC2D3E24F27 (1)

Weight, g/mol:

696.334542

ΔHf, kcal/mol:

-114.76

Dipole, Da:

6.95

IP(EA), eV:

 -8.89(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[3-(3-ethylhex-5-en-3-yl)-4-methoxyphenyl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=C(C=C(C=C3)CCC(=O)O)F

DOS

IR

Vibrations