Geometry & MOs

Info

ID:	34760
PubChem CID:	7978908
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	4.25
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[[2-(1-adamantyl)acetyl]amino]carbamate

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