Geometry & MOs

Info

ID:

172294

PubChem CID:

75491009

Reduced:

SN5O6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

560.263485

ΔHf, kcal/mol:

-118.62

Dipole, Da:

6.65

IP(EA), eV:

 -8.72(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(pyridin-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC=N2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations