Geometry & MOs

Info

ID:

307878

PubChem CID:

125310376

Reduced:

NO8H23C29 (1)

Stoich.:

AB8C23D29 (1)

Weight, g/mol:

633.305015

ΔHf, kcal/mol:

-221.09

Dipole, Da:

4.92

IP(EA), eV:

 -9.14(-1.62)

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-(2-methoxyphenoxy)ethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2COC3=C(C2=O)C(=CC4=C3[C@@H](CC(=O)O4)[C@@H]5C=C6C=CC(=CC6=NC5=O)OC)O

DOS

IR

Vibrations