Geometry & MOs

Info

ID:	135771
PubChem CID:	51933868
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	338.093643
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	4.59
IP(EA), eV:	-9.09(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-4-(5-methoxycarbonylpyridine-2-carbonyl)thiomorpholine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1)S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations