Geometry & MOs

Info

ID:

445092

PubChem CID:

135264523

Reduced:

N3H21C31 (1)

Stoich.:

A3B21C31 (1)

Weight, g/mol:

626.292677

ΔHf, kcal/mol:

157.44

Dipole, Da:

3.5

IP(EA), eV:

 -7.99(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-1-hydroxy-3-[4-[5-[(Z)-5-phenylpent-1-enyl]pyrimidin-2-yl]phenyl]propyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2)N3C=CC4=C3C=CC5=C4C6=CC=CC=C6N5)C7=CC=CC=C7

DOS

IR

Vibrations