Geometry & MOs

Info

ID:	390879
PubChem CID:	135001425
Reduced:	ClSN7O7C45H50 (1)
Stoich.:	ABC7D7E45F50 (1)
Weight, g/mol:	169.073893
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	12.0
IP(EA), eV:	-8.59(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-3-enoylmorpholin-3-one

Drug info:

PubChemData

Smile

CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=NC8=C(C=C7)C=CN8)C

DOS

IR

Vibrations