Geometry & MOs

Info

ID:

334518

PubChem CID:

127253193

Reduced:

N2O7C21H22 (1)

Stoich.:

A2B7C21D22 (1)

Weight, g/mol:

605.321334

ΔHf, kcal/mol:

-222.14

Dipole, Da:

4.66

IP(EA), eV:

 -9.09(-0.66)

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-(1,3,5-trimethylpyrazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4=C(C=CC=C4OC)OC

DOS

IR

Vibrations