Geometry & MOs

Info

ID:

187958

PubChem CID:

77647776

Reduced:

SF3N4O4C34H41 (1)

Stoich.:

AB3C4D4E34F41 (1)

Weight, g/mol:

597.202397

ΔHf, kcal/mol:

-282.51

Dipole, Da:

4.87

IP(EA), eV:

 -8.44(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]-N-ethylpropanamide;formic acid

Drug info:

PubChemData

Smile

CCC1=CNC2=C1C=C(C=C2N3CCCS3(O)O)C(=O)NC(CC4=CC=CC=C4)C(CNC(C)(C)C5=CC(=CC=C5)C(F)(F)F)O

DOS

IR

Vibrations