Geometry & MOs

Info

ID:	86042
PubChem CID:	49881215
Reduced:	SN3O5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	504.078967
ΔH_f, kcal/mol:	-90.8
Dipole, Da:	5.47
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-2-[[5-(3-methyl-2H-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SCC(=O)C4=C(C=C(C=C4)O)O

DOS

IR

Vibrations