Geometry & MOs

Info

ID:	86240
PubChem CID:	49883352
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	467.108582
ΔH_f, kcal/mol:	-9.87
Dipole, Da:	4.25
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCCCSC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations