Geometry & MOs

Info

ID:	34555
PubChem CID:	7978660
Reduced:	ClN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	376.162077
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	6.88
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(4-fluorophenyl)sulfanylpropanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC)Cl

DOS

IR

Vibrations