Geometry & MOs

Info

ID:	330888
PubChem CID:	127248295
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	5.2
IP(EA), eV:	-9.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CCO)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4CCCC4

DOS

IR

Vibrations