Geometry & MOs

Info

ID:	297759
PubChem CID:	117629292
Reduced:	ClNO4C20H34 (1)
Stoich.:	ABC4D20E34 (1)
Weight, g/mol:	459.31373
ΔH_f, kcal/mol:	-216.36
Dipole, Da:	4.61
IP(EA), eV:	-9.54(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(1-adamantyl)-2-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide

Drug info:

PubChemData

Smile

CC1(C2CC[C@]1(C(=O)C2)C(=O)NCCOCCOCCCCCCCl)C

DOS

IR

Vibrations