Geometry & MOs

Info

ID:	86195
PubChem CID:	49882644
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	3.18
IP(EA), eV:	-8.81(-0.74)
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-(2,5-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C(C)C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations