Geometry & MOs

Info

ID:	33939
PubChem CID:	7888907
Reduced:	ClN3O5H14C18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	391.077282
ΔH_f, kcal/mol:	-82.45
Dipole, Da:	8.93
IP(EA), eV:	-9.43(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-5-(methylcarbamoyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations