Geometry & MOs

Info

ID:

176023

PubChem CID:

75983341

Reduced:

Cl3N4O4C22H32 (2)

Stoich.:

A3B4C4D22E32 (2)

Weight, g/mol:

492.133063

ΔHf, kcal/mol:

-427.07

Dipole, Da:

5.21

IP(EA), eV:

 -8.49(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(2-nitro-1-phenyl-3-thiophen-2-ylpentyl)acetamide

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)CCOC(=O)C(CC2=CC=C(C=C2)N(CCCl)CCCl)N)NCCCCCCNC3CC(=O)N(C3=O)CCOC(=O)C(CC4=CC=C(C=C4)N(CCCl)CCCl)N.Cl.Cl

DOS

IR

Vibrations