Geometry & MOs

Info

ID:	156231
PubChem CID:	56369748
Reduced:	BrClO2N3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	413.00449
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	5.02
IP(EA), eV:	-9.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N'-(4-methylsulfonylbenzoyl)pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)Br

DOS

IR

Vibrations