Geometry & MOs

Info

ID:	39045
PubChem CID:	8138422
Reduced:	FN2O5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	323.049526
ΔH_f, kcal/mol:	-151.37
Dipole, Da:	4.13
IP(EA), eV:	-9.56(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)O[C@H](C)C2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations