Geometry & MOs

Info

ID:	176760
PubChem CID:	76094859
Reduced:	N2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	446.223929
ΔH_f, kcal/mol:	-171.53
Dipole, Da:	3.52
IP(EA), eV:	-8.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[6,6-dimethyl-3-(phenoxysulfinylamino)-2-bicyclo[3.1.1]heptanyl]-N-(2-oxoethyl)hept-5-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)C(CC2=CC(=C(C=C2)O)O)N

DOS

IR

Vibrations