Geometry & MOs

Info

ID:	33947
PubChem CID:	7888940
Reduced:	SO2N5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	411.061295
ΔH_f, kcal/mol:	9.09
Dipole, Da:	5.58
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-nitro-2-(trifluoromethyl)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations