Geometry & MOs

Info

ID:	195364
PubChem CID:	78677493
Reduced:	O2S2N5C16H21 (1)
Stoich.:	A2B2C5D16E21 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	0.16
Dipole, Da:	3.86
IP(EA), eV:	-8.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-phenylprop-2-enoyl)thiomorpholine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CNC1=NN=C(S1)SC(C)C(=O)NNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations