Geometry & MOs

Info

ID:

334639

PubChem CID:

127253314

Reduced:

N2O5H28C29 (1)

Stoich.:

A2B5C28D29 (1)

Weight, g/mol:

618.316583

ΔHf, kcal/mol:

-89.54

Dipole, Da:

5.49

IP(EA), eV:

 -8.55(-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-[2-(pyrimidin-2-ylamino)ethyl]pentanamide

Drug info:

PubChemData

Smile

CN(C)C(CN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)C5=CC(=C(C(=C5)OC)OC)OC

DOS

IR

Vibrations