Geometry & MOs

Info

ID:

336019

PubChem CID:

127255026

Reduced:

ClNO5H30C33 (1)

Stoich.:

ABC5D30E33 (1)

Weight, g/mol:

499.185569

ΔHf, kcal/mol:

-97.27

Dipole, Da:

5.28

IP(EA), eV:

 -8.28(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-(3-cyanopyridin-2-yl)oxyphenyl]-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1[C@@H](C2(C3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=C(C(=CC=C6)OC)OC

DOS

IR

Vibrations