Geometry & MOs

Info

ID:	200456
PubChem CID:	79391052
Reduced:	BrSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	3.75
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate

Drug info:

PubChemData

Smile

CC(C(C)SC1=CC(=CC=C1)Br)C(=O)O

DOS

IR

Vibrations