Geometry & MOs

Info

ID:

219517

PubChem CID:

85149076

Reduced:

O7C33H46 (1)

Stoich.:

A7B33C46 (1)

Weight, g/mol:

554.248225

ΔHf, kcal/mol:

-266.47

Dipole, Da:

10.78

IP(EA), eV:

 -9.76(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-(3-chlorophenyl)-2-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopropyl]methyl]-N,1-dimethylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6OC7C(=O)C7(C)C)C)O5)C)CO

DOS

IR

Vibrations