Geometry & MOs

Info

ID:	140011
PubChem CID:	52630045
Reduced:	O2F3N3C22H30 (1)
Stoich.:	A2B3C3D22E30 (1)
Weight, g/mol:	460.17254
ΔH_f, kcal/mol:	-250.43
Dipole, Da:	5.51
IP(EA), eV:	-8.92(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]methyl]-N-[(2R)-butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)CC2=CC=CC=C2CNC(=O)[C@@H]3CC(=O)N(C3)CC(F)(F)F)C

DOS

IR

Vibrations