Geometry & MOs

Info

ID:

334784

PubChem CID:

127253459

Reduced:

N4O8C23H24 (1)

Stoich.:

A4B8C23D24 (1)

Weight, g/mol:

706.43055

ΔHf, kcal/mol:

-223.06

Dipole, Da:

3.79

IP(EA), eV:

 -8.64(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(2-methoxyethyl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC2=NOC(=N2)C3CCC(=O)N3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations