Geometry & MOs

Info

ID:	245432
PubChem CID:	99444701
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	382.06808
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	10.41
IP(EA), eV:	-9.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-bromophenyl)-N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CCN([C@H](C)C1=CC=C(C=C1)C#N)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N[C@H]3CCCC[C@@H]3C

DOS

IR

Vibrations