Geometry & MOs

Info

ID:	86368
PubChem CID:	49884640
Reduced:	S2N5O5C20H21 (1)
Stoich.:	A2B5C5D20E21 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-95.51
Dipole, Da:	8.81
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations