Geometry & MOs

Info

ID:

299865

PubChem CID:

117734762

Reduced:

ClFO2N5H21C22 (1)

Stoich.:

ABC2D5E21F22 (1)

Weight, g/mol:

624.277027

ΔHf, kcal/mol:

67.76

Dipole, Da:

5.24

IP(EA), eV:

 -9.14(-1.27)

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-[(Z)-5-phenylpent-1-enyl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)OC3=C(C=CC(=C3)F)C(=O)N4CC5=C6N=CC(=CN6N=C5C4)Cl

DOS

IR

Vibrations