Geometry & MOs

Info

ID:	305064
PubChem CID:	124766484
Reduced:	FNO6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	367.143116
ΔH_f, kcal/mol:	-281.95
Dipole, Da:	4.9
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6S,8S,9R)-N-(4-fluorophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O1)[C@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations