Geometry & MOs

Info

ID:	369331
PubChem CID:	127332349
Reduced:	SO2N3C21H35 (1)
Stoich.:	AB2C3D21E35 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-99.47
Dipole, Da:	5.0
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclobutylmethyl)-2,3-dimethylthiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)NCC1CCCOC1C(C)(C)C)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations