Geometry & MOs

Info

ID:	127579
PubChem CID:	51007013
Reduced:	ON2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	530.112375
ΔH_f, kcal/mol:	53.56
Dipole, Da:	2.81
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N-[(1R,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CN1[C@@H]\2CC[C@H]1/C(=C\C3=CN=CC=C3)/C(=O)/C2=C/C4=CC=CC=C4

DOS

IR

Vibrations