Geometry & MOs

Info

ID:	86214
PubChem CID:	49882970
Reduced:	S2N3O4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	486.175933
ΔH_f, kcal/mol:	-46.46
Dipole, Da:	5.72
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2)CS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations