Geometry & MOs

Info

ID:	85988
PubChem CID:	49880839
Reduced:	SN4O5H26C27 (1)
Stoich.:	AB4C5D26E27 (1)
Weight, g/mol:	506.117939
ΔH_f, kcal/mol:	-68.99
Dipole, Da:	4.02
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)OC)OC)SC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations