Geometry & MOs

Info

ID:

172293

PubChem CID:

75490729

Reduced:

S2N4O5C20H24 (1)

Stoich.:

A2B4C5D20E24 (1)

Weight, g/mol:

657.262105

ΔHf, kcal/mol:

-143.79

Dipole, Da:

7.51

IP(EA), eV:

 -9.0(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCSCC4)OCC(=O)N

DOS

IR

Vibrations