Geometry & MOs

Info

ID:	143177
PubChem CID:	53158152
Reduced:	SN4O6C18H18 (1)
Stoich.:	AB4C6D18E18 (1)
Weight, g/mol:	424.101683
ΔH_f, kcal/mol:	-133.9
Dipole, Da:	3.77
IP(EA), eV:	-9.13(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3,5-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CN4C(=NN=C4C=C3)C

DOS

IR

Vibrations