Geometry & MOs

Info

ID:	131883
PubChem CID:	51274056
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	2.63
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-N-(3-phenylsulfanylpropyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)C(=O)OC

DOS

IR

Vibrations