Geometry & MOs

Info

ID:

334125

PubChem CID:

127252677

Reduced:

N2O7C23H24 (1)

Stoich.:

A2B7C23D24 (1)

Weight, g/mol:

707.368284

ΔHf, kcal/mol:

-213.68

Dipole, Da:

9.39

IP(EA), eV:

 -8.84(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(7S)-1,2,3-trimethoxy-10-[[(2S,3R)-3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations