Geometry & MOs

Info

ID:	86119
PubChem CID:	49882010
Reduced:	SN3O5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	456.146741
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	2.73
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-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)C4=C(C=C(C=C4)O)O

DOS

IR

Vibrations