Geometry & MOs

Info

ID:

188836

PubChem CID:

77772862

Reduced:

N3O5C39H39 (1)

Stoich.:

A3B5C39D39 (1)

Weight, g/mol:

677.188183

ΔHf, kcal/mol:

-131.03

Dipole, Da:

6.39

IP(EA), eV:

 -9.51(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N',N'-bis[2-(3-chlorophenyl)ethyl]-2-[[2-[(4-methoxyphenyl)methylsulfanyl]-3-phenylpropanoyl]amino]propanediamide

Drug info:

PubChemData

Smile

CC(=O)N1C(C(=O)NC1(C2=CC=CC=C2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4(CCCC4)C5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations