Geometry & MOs

Info

ID:	86057
PubChem CID:	49881420
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	549.06961
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	4.11
IP(EA), eV:	-9.03(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C)SC(C)C(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations