Geometry & MOs

Info

ID:	192609
PubChem CID:	78291008
Reduced:	ClSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	379.04192
ΔH_f, kcal/mol:	-12.52
Dipole, Da:	4.63
IP(EA), eV:	-8.86(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=NC=CS2)Cl)OC

DOS

IR

Vibrations