Geometry & MOs

Info

ID:	86288
PubChem CID:	49883849
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	467.108582
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	1.82
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations