Geometry & MOs

Info

ID:	355756
PubChem CID:	127290608
Reduced:	S2N3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	6.77
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CSC(=N4)C

DOS

IR

Vibrations