Geometry & MOs

Info

ID:	351150
PubChem CID:	127279708
Reduced:	NOSC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	385.134779
ΔH_f, kcal/mol:	-29.01
Dipole, Da:	4.03
IP(EA), eV:	-8.72(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations