Geometry & MOs

Info

ID:	86236
PubChem CID:	49883312
Reduced:	S2O3N4C23H28 (1)
Stoich.:	A2B3C4D23E28 (1)
Weight, g/mol:	463.080653
ΔH_f, kcal/mol:	-70.73
Dipole, Da:	4.05
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)C)C)CS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations