Geometry & MOs

Info

ID:	244913
PubChem CID:	99431578
Reduced:	NSO2F3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	415.152591
ΔH_f, kcal/mol:	-213.46
Dipole, Da:	6.27
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7S)-3-chloro-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)CCC2=CSC=C2)(C(F)(F)F)O

DOS

IR

Vibrations