Geometry & MOs

Info

ID:	268395
PubChem CID:	103599240
Reduced:	SO2N7H15C19 (1)
Stoich.:	AB2C7D15E19 (1)
Weight, g/mol:	419.116444
ΔH_f, kcal/mol:	122.84
Dipole, Da:	2.97
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]-2H-triazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC(=O)NNC(=O)C4=NNN=C4

DOS

IR

Vibrations