Geometry & MOs

Info

ID:	346190
PubChem CID:	127270681
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	389.199094
ΔH_f, kcal/mol:	-41.73
Dipole, Da:	3.48
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-1-adamantyl)-N-(9H-xanthen-9-yl)acetamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)N)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations