Geometry & MOs

Info

ID:	39002
PubChem CID:	8138324
Reduced:	ClOSN6H17C19 (1)
Stoich.:	ABCD6E17F19 (1)
Weight, g/mol:	329.005947
ΔH_f, kcal/mol:	128.16
Dipole, Da:	5.47
IP(EA), eV:	-9.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations