Geometry & MOs

Info

ID:	86397
PubChem CID:	49884931
Reduced:	ClSN4O4H23C26 (1)
Stoich.:	ABC4D4E23F26 (1)
Weight, g/mol:	536.128504
ΔH_f, kcal/mol:	-32.39
Dipole, Da:	5.15
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC(=C(C=C5)OC)Cl

DOS

IR

Vibrations