Geometry & MOs

Info

ID:	86013
PubChem CID:	49881012
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	442.131091
ΔH_f, kcal/mol:	-62.45
Dipole, Da:	8.66
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NN=C(N2C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations