Geometry & MOs

Info

ID:	86390
PubChem CID:	49884802
Reduced:	SN4O4C19H20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	549.158309
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	4.32
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-phenylpyrazol-3-yl)-2-[[5-(3-methyl-2H-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C)SCC(=O)NCC4=CC=CO4

DOS

IR

Vibrations