Geometry & MOs

Info

ID:	410911
PubChem CID:	135083712
Reduced:	SN2O4C9H18 (1)
Stoich.:	AB2C4D9E18 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-170.44
Dipole, Da:	3.33
IP(EA), eV:	-10.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-isocyanophenyl)-1-morpholin-4-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(CC=C)CNS(=O)(=O)NC(=O)OC

DOS

IR

Vibrations