Geometry & MOs

Info

ID:	86164
PubChem CID:	49882216
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	545.119147
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	4.17
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations