Geometry & MOs

Info

ID:	64028
PubChem CID:	26759712
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	464.04054
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	10.5
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations