Geometry & MOs

Info

ID:	39034
PubChem CID:	8138404
Reduced:	FO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	1.75
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)NNC(=O)C2=CC=CN2)F

DOS

IR

Vibrations