Geometry & MOs

Info

ID:

334475

PubChem CID:

127253150

Reduced:

N3O7C25H25 (1)

Stoich.:

A3B7C25D25 (1)

Weight, g/mol:

624.294785

ΔHf, kcal/mol:

-222.72

Dipole, Da:

4.84

IP(EA), eV:

 -8.78(-0.77)

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]-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=COC4=C(C3=O)C=C(C=C4)OC)O

DOS

IR

Vibrations