Geometry & MOs

Info

ID:	60757
PubChem CID:	26701910
Reduced:	SN2O5H20C24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	471.154269
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	4.38
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-ethoxy-3-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)CN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations