Geometry & MOs

Info

ID:	86295
PubChem CID:	49883932
Reduced:	S2O3N4C23H26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	551.075568
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	3.88
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations