Geometry & MOs

Info

ID:	86166
PubChem CID:	49882226
Reduced:	SN3O4H21C25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	486.172562
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	3.57
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations