Geometry & MOs

Info

ID:

334522

PubChem CID:

127253197

Reduced:

NO2C11H12 (2)

Stoich.:

AB2C11D12 (2)

Weight, g/mol:

717.202397

ΔHf, kcal/mol:

-113.23

Dipole, Da:

2.76

IP(EA), eV:

 -8.33(-0.39)

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-[4-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations