Geometry & MOs

Info

ID:	351105
PubChem CID:	127279663
Reduced:	OS2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	318.04967
ΔH_f, kcal/mol:	40.16
Dipole, Da:	2.43
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5-dimethylthiophen-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)C3CCCN3C4=C5C=CSC5=NC=N4

DOS

IR

Vibrations