Geometry & MOs

Info

ID:

164317

PubChem CID:

74382838

Reduced:

S2N6O9C44H50 (1)

Stoich.:

A2B6C9D44E50 (1)

Weight, g/mol:

450.182254

ΔHf, kcal/mol:

-262.89

Dipole, Da:

5.39

IP(EA), eV:

 -8.77(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-chloro-1-(pyrrolidin-2-ylmethyl)indol-3-yl]-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3=CC=CC=C3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=NC7=C(S6)CCC7)NC(=O)OC8CCCC8

DOS

IR

Vibrations