Geometry & MOs

Info

ID:

175276

PubChem CID:

75877912

Reduced:

SO3N4C20H25 (1)

Stoich.:

AB3C4D20E25 (1)

Weight, g/mol:

367.99272

ΔHf, kcal/mol:

-69.52

Dipole, Da:

4.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.037513

Charge, e:

 0

Chem-info

IUPAC name:

3-(5-bromofuran-2-yl)-N-[3-chloro-2-(dimethylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(CNC(=O)NC2=CC(=CC=C2)N3CCOC3=O)C4=CC=CS4

DOS

IR

Vibrations