Geometry & MOs

Info

ID:

334945

PubChem CID:

127253751

Reduced:

N4O5C26H28 (1)

Stoich.:

A4B5C26D28 (1)

Weight, g/mol:

523.177707

ΔHf, kcal/mol:

-177.91

Dipole, Da:

7.46

IP(EA), eV:

 -8.93(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C=C(C(=O)N2)C(CC(=O)OC)C3=C(C=C(N(C3=O)CCC4=CN=CN4)C)O)C

DOS

IR

Vibrations