Geometry & MOs

Info

ID:	37743
PubChem CID:	8023981
Reduced:	SN3O4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	371.209658
ΔH_f, kcal/mol:	-111.33
Dipole, Da:	2.88
IP(EA), eV:	-9.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CC=CO1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3

DOS

IR

Vibrations