Geometry & MOs

Info

ID:	195366
PubChem CID:	78677677
Reduced:	NSO4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-131.75
Dipole, Da:	5.82
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-methoxybenzoyl)thiomorpholine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)N2CCSC(C2)C(=O)OC

DOS

IR

Vibrations