Geometry & MOs

Info

ID:

334634

PubChem CID:

127253309

Reduced:

O4N7C21H27 (1)

Stoich.:

A4B7C21D27 (1)

Weight, g/mol:

623.230136

ΔHf, kcal/mol:

-23.96

Dipole, Da:

9.59

IP(EA), eV:

 -10.03(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butan-2-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=C(C(=O)N4C3)[N+](=O)[O-])CN5C=NN=N5

DOS

IR

Vibrations