Geometry & MOs

Info

ID:	234608
PubChem CID:	92303162
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	331.116821
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	5.33
IP(EA), eV:	-9.17(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-ethoxy-3-nitrophenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCC[C@H](CC)CNC(=O)CC[C@H]1C(=O)N2C(=N1)C3=CC=CC=C3NC2=S

DOS

IR

Vibrations