Geometry & MOs

Info

ID:	36327
PubChem CID:	8001687
Reduced:	BrOSN4H13C16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	289.095023
ΔH_f, kcal/mol:	103.81
Dipole, Da:	4.05
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (E)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C#N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

DOS

IR

Vibrations