Geometry & MOs

Info

ID:	38719
PubChem CID:	8137814
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	3.56
IP(EA), eV:	-8.59(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)CCSC3=CC=CC=C3

DOS

IR

Vibrations