Geometry & MOs

Info

ID:	350103
PubChem CID:	127277181
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	382.1021
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	4.56
IP(EA), eV:	-8.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(COC3)C=C2)CC4=CSC=N4

DOS

IR

Vibrations