Geometry & MOs

Info

ID:	359021
PubChem CID:	127297265
Reduced:	SN4O4C16H18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	5.62
IP(EA), eV:	-9.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(C#N)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

DOS

IR

Vibrations