Geometry & MOs

Info

ID:	362468
PubChem CID:	127307914
Reduced:	O2S2N5C16H25 (1)
Stoich.:	A2B2C5D16E25 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	2.8
IP(EA), eV:	-8.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-yl)-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1SCC(=O)N2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations