Geometry & MOs

Info

ID:

334617

PubChem CID:

127253292

Reduced:

ClSN2O7C23H23 (1)

Stoich.:

ABC2D7E23F23 (1)

Weight, g/mol:

697.25702

ΔHf, kcal/mol:

-213.48

Dipole, Da:

5.5

IP(EA), eV:

 -8.88(-1.02)

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-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations