Geometry & MOs

Info

ID:	86451
PubChem CID:	49885723
Reduced:	SO3N7H23C25 (1)
Stoich.:	AB3C7D23E25 (1)
Weight, g/mol:	492.102289
ΔH_f, kcal/mol:	58.21
Dipole, Da:	10.53
IP(EA), eV:	-8.8(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[[5-(2-methyl-2,3-dihydro-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(N3C4=CC=CC=C4)SC(C)C(=O)NC5=C(C=NN5C)C#N

DOS

IR

Vibrations