Geometry & MOs

Info

ID:	86299
PubChem CID:	49883969
Reduced:	S2O4N5C15H17 (1)
Stoich.:	A2B4C5D15E17 (1)
Weight, g/mol:	577.112347
ΔH_f, kcal/mol:	-77.42
Dipole, Da:	5.18
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(=O)NC(=O)N)CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations