Geometry & MOs

Info

ID:	407133
PubChem CID:	135079371
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	321.103479
ΔH_f, kcal/mol:	-74.26
Dipole, Da:	2.11
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylsulfanylphenyl)methylidene]-4-morpholin-4-yl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)ONC(=O)CC/C(=C/C2=CC=CC=C2)/C)C

DOS

IR

Vibrations