Geometry & MOs

Info

ID:	411266
PubChem CID:	135084079
Reduced:	BrN2O4C10H17 (1)
Stoich.:	AB2C4D10E17 (1)
Weight, g/mol:	312.97721
ΔH_f, kcal/mol:	-174.21
Dipole, Da:	1.69
IP(EA), eV:	-9.83(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-bromo-2-ethylsulfinyl-3-(4-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC(=O)NN=C(CBr)C(=O)OC(C)(C)C

DOS

IR

Vibrations