Geometry & MOs

Info

ID:	132241
PubChem CID:	51328638
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	4.5
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dimethylbenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N(C)CC3=C(C=CS3)C

DOS

IR

Vibrations