Geometry & MOs

Info

ID:	38982
PubChem CID:	8138287
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	370.96723
ΔH_f, kcal/mol:	-87.7
Dipole, Da:	4.96
IP(EA), eV:	-9.63(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)C1=CC2=C(C=C1)N=CS2

DOS

IR

Vibrations