Geometry & MOs

Info

ID:	86012
PubChem CID:	49881011
Reduced:	SCl2O3N4H18C20 (1)
Stoich.:	AB2C3D4E18F20 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	5.88
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)SC2=NN=C(N2C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations