Geometry & MOs

Info

ID:

335175

PubChem CID:

127254036

Reduced:

N2O5H24C29 (1)

Stoich.:

A2B5C24D29 (1)

Weight, g/mol:

670.282506

ΔHf, kcal/mol:

-72.68

Dipole, Da:

1.61

IP(EA), eV:

 -8.25(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CCN3C4=C(C5=C(C3=O)C(=C(C=C5)OC)OC)C(=O)C6=CC=CC=C64

DOS

IR

Vibrations