Geometry & MOs

Info

ID:

445089

PubChem CID:

135264519

Reduced:

SN4O4C34H40 (1)

Stoich.:

AB4C4D34E40 (1)

Weight, g/mol:

708.388685

ΔHf, kcal/mol:

-111.3

Dipole, Da:

7.74

IP(EA), eV:

 -9.06(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-2-[[(E)-4,4-dimethylpent-2-enoyl]amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-1-hydroxypropyl]amino]-3-hydroxy-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NC([C@H](CC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(C)C)NC(=O)C4=CC=C(S4)C(C)(C)C)O

DOS

IR

Vibrations