Geometry & MOs

Info

ID:

169461

PubChem CID:

75106054

Reduced:

Cl3N3O10C41H56 (1)

Stoich.:

A3B3C10D41E56 (1)

Weight, g/mol:

392.168912

ΔHf, kcal/mol:

-485.09

Dipole, Da:

6.48

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-benzothiophen-6-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)(C)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C(C(C3=CC=C(C=C3)OC(=O)C(C)(C)CN)Cl)O.Cl

DOS

IR

Vibrations