Geometry & MOs

Info

ID:	39003
PubChem CID:	8138325
Reduced:	ClO2S2N3C12H12 (1)
Stoich.:	AB2C2D3E12F12 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-13.31
Dipole, Da:	2.91
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-methoxyphenyl)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CSCC2=CC=C(S2)Cl

DOS

IR

Vibrations