Geometry & MOs

Info

ID:	302774
PubChem CID:	124395090
Reduced:	BrNS2O5C18H20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	388.00587
ΔH_f, kcal/mol:	-147.38
Dipole, Da:	3.76
IP(EA), eV:	-8.85(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C2=CC(=C(C=C2Br)OCC(=O)OCC)OCC)/SC1=S

DOS

IR

Vibrations