Geometry & MOs

Info

ID:	39039
PubChem CID:	8138413
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	3.44
IP(EA), eV:	-9.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)COC3=CC=C(C=C3)C(=O)CC

DOS

IR

Vibrations