Geometry & MOs

Info

ID:	38931
PubChem CID:	8138186
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	2.61
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations