Geometry & MOs

Info

ID:	31424
PubChem CID:	855702
Reduced:	ON2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	91.46
Dipole, Da:	3.03
IP(EA), eV:	-8.31(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CO3)C4=CC=NC=C4

DOS

IR

Vibrations