Geometry & MOs

Info

ID:	34639
PubChem CID:	7978765
Reduced:	ClFN3O3C19H21 (1)
Stoich.:	ABC3D3E19F21 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	8.55
IP(EA), eV:	-9.04(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(1,3-benzothiazol-2-yl)propanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)F)Cl

DOS

IR

Vibrations