Geometry & MOs

Info

ID:

334936

PubChem CID:

127253742

Reduced:

OH3C4 (6)

Stoich.:

AB3C4 (6)

Weight, g/mol:

672.225385

ΔHf, kcal/mol:

-134.05

Dipole, Da:

6.16

IP(EA), eV:

 -8.86(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propanoyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC=C(C=C5)OC

DOS

IR

Vibrations