Geometry & MOs

Info

ID:	86371
PubChem CID:	49884713
Reduced:	S2N4O5C28H28 (1)
Stoich.:	A2B4C5D28E28 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	4.04
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-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

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4(COC5=CC=CC=C5O4)C)C

DOS

IR

Vibrations