Geometry & MOs

Info

ID:

334176

PubChem CID:

127252728

Reduced:

O8H22C27 (1)

Stoich.:

A8B22C27 (1)

Weight, g/mol:

563.274384

ΔHf, kcal/mol:

-210.13

Dipole, Da:

6.95

IP(EA), eV:

 -8.44(-1.31)

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-(1H-pyrazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC(=O)OC3=C2C4=C(C=C3)C(=O)/C(=C/C5=CC(=C(C=C5)OC)OC)/O4)O

DOS

IR

Vibrations