Geometry & MOs

Info

ID:	86256
PubChem CID:	49883560
Reduced:	S2O3N5H21C22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	431.108582
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	1.39
IP(EA), eV:	-8.89(-0.87)
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-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations