Geometry & MOs

Info

ID:	130935
PubChem CID:	51132046
Reduced:	ClSN3O4H16C19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	441.0688
ΔH_f, kcal/mol:	-125.85
Dipole, Da:	6.66
IP(EA), eV:	-8.97(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1COC(=O)N1C2=CC=CC=C2NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

DOS

IR

Vibrations