Geometry & MOs

Info

ID:	402655
PubChem CID:	135056742
Reduced:	N2F3O5H23C26 (1)
Stoich.:	A2B3C5D23E26 (1)
Weight, g/mol:	146.073165
ΔH_f, kcal/mol:	-284.82
Dipole, Da:	3.42
IP(EA), eV:	-8.5(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene

Drug info:

PubChemData

Smile

CC(=O)[C@@H]([C@@]1(C2=C(C=CC(=C2)OC(F)(F)F)N(C1=O)CC3=CC=CC=C3)NC4=CC=C(C=C4)OC)O

DOS

IR

Vibrations