Geometry & MOs

Info

ID:	244251
PubChem CID:	99319597
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	5.33
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]ethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2=NC(=CS2)C(=O)NCCNC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations