Geometry & MOs

Info

ID:	218381
PubChem CID:	85089252
Reduced:	NSO4C26H31 (1)
Stoich.:	ABC4D26E31 (1)
Weight, g/mol:	453.299142
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	9.91
IP(EA), eV:	-9.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[3-(3-piperidin-4-ylpropanoylamino)-1-adamantyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3C2C4=CC(=O)CCC4(C5C3C6CCC(=O)C6(CC5)C)C

DOS

IR

Vibrations