Geometry & MOs

Info

ID:	34756
PubChem CID:	7978904
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	5.01
IP(EA), eV:	-8.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N'-[2-(4-tert-butylphenoxy)acetyl]acetohydrazide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCCOC3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations