Geometry & MOs

Info

ID:

219132

PubChem CID:

85090741

Reduced:

SF3O5C31H41 (1)

Stoich.:

AB3C5D31E41 (1)

Weight, g/mol:

586.203211

ΔHf, kcal/mol:

-370.22

Dipole, Da:

9.14

IP(EA), eV:

 -9.77(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)CC5C(C5(C)C)(C)C)C)O)F)C)F

DOS

IR

Vibrations