Geometry & MOs

Info

ID:	86011
PubChem CID:	49881004
Reduced:	SN4O4H24C30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	464.047667
ΔH_f, kcal/mol:	18.28
Dipole, Da:	5.8
IP(EA), eV:	-8.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

DOS

IR

Vibrations