Geometry & MOs

Info

ID:	62836
PubChem CID:	26737126
Reduced:	SO3N4H11C13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	371.076219
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	5.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.838905
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxypyridin-3-yl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=CNC3=[N+](C2=O)C=CS3

DOS

IR

Vibrations