Geometry & MOs

Info

ID:

308138

PubChem CID:

125317116

Reduced:

NO3H13C14 (2)

Stoich.:

AB3C13D14 (2)

Weight, g/mol:

632.240163

ΔHf, kcal/mol:

-150.84

Dipole, Da:

4.74

IP(EA), eV:

 -9.14(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CC2=C3C=CC=CC3=N[C@H]2CN1C(=O)COC4=CC5=C(C=C4)C6=C(CCCC6)C(=O)O5

DOS

IR

Vibrations