Geometry & MOs

Info

ID:

84053

PubChem CID:

49863905

Reduced:

O15C41H62 (1)

Stoich.:

A15B41C62 (1)

Weight, g/mol:

413.103

ΔHf, kcal/mol:

-690.75

Dipole, Da:

2.37

IP(EA), eV:

 -9.37(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (Z)-4-[1-[(4-chlorophenyl)methyl]-4-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)C(=C)C(C)C)C1=C(C(=O)[C@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O

DOS

IR

Vibrations