Geometry & MOs

Info

ID:	330637
PubChem CID:	127248044
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-122.03
Dipole, Da:	5.34
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)N3CCC(C3)(CN4CCOCC4)O

DOS

IR

Vibrations