Geometry & MOs

Info

ID:	34397
PubChem CID:	7891098
Reduced:	OS2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	45.88
Dipole, Da:	3.81
IP(EA), eV:	-8.4(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN=C(S2)S[C@H](C)C(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations