Geometry & MOs

Info

ID:	156363
PubChem CID:	56370287
Reduced:	BrSN2O5C18H19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	472.097204
ΔH_f, kcal/mol:	-160.06
Dipole, Da:	7.87
IP(EA), eV:	-8.57(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chloro-4-imidazol-1-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC=C(C=C1)OCC(=O)N)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations