Geometry & MOs

Info

ID:

307112

PubChem CID:

125267676

Reduced:

ON2H28C36 (1)

Stoich.:

AB2C28D36 (1)

Weight, g/mol:

602.254063

ΔHf, kcal/mol:

172.22

Dipole, Da:

2.66

IP(EA), eV:

 -8.88(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[2-(5-fluoro-2H-indol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=C3C=CC=CC3=N[C@@H]2C4=CC=CC=C4)C5=C6C=CC=CC6=N[C@@H]5C7=CC=CC=C7

DOS

IR

Vibrations