Geometry & MOs

Info

ID:	34637
PubChem CID:	7978763
Reduced:	ClFN3O3C20H23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	358.171499
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	9.16
IP(EA), eV:	-9.59(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-phenylsulfanylpropanoyl)adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)NCC2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations