Geometry & MOs

Info

ID:	86196
PubChem CID:	49882646
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-46.69
Dipole, Da:	5.15
IP(EA), eV:	-8.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)C)C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations