Geometry & MOs

Info

ID:	206665
PubChem CID:	80278928
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	269.083413
ΔH_f, kcal/mol:	93.1
Dipole, Da:	5.66
IP(EA), eV:	-9.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]but-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)N2C=CN=C2C#N)N

DOS

IR

Vibrations