Geometry & MOs

Info

ID:

44787

PubChem CID:

10505955

Reduced:

N3O6C28H39 (1)

Stoich.:

A3B6C28D39 (1)

Weight, g/mol:

513.283886

ΔHf, kcal/mol:

-291.01

Dipole, Da:

7.4

IP(EA), eV:

 -9.82(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(6aS,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl-(2-ethoxy-2-oxoethoxy)carbonylamino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC1CCCCC1)NC(=O)[C@H](CCCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)O

DOS

IR

Vibrations