Geometry & MOs

Info

ID:	195365
PubChem CID:	78677676
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	321.103479
ΔH_f, kcal/mol:	-91.42
Dipole, Da:	2.28
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CN(CCS1)C(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations