Geometry & MOs

Info

ID:	393587
PubChem CID:	135021148
Reduced:	NSO6C27H31 (1)
Stoich.:	ABC6D27E31 (1)
Weight, g/mol:	369.09396
ΔH_f, kcal/mol:	-194.28
Dipole, Da:	3.4
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-bromo-2-[(1R,5R)-3-cyano-6,6-dimethyl-4-oxo-2-bicyclo[3.1.1]heptanyl]pentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@](C(C2)C(C3=CC=CC=C3OC)O)(C4=CC=CC=C4OC)O

DOS

IR

Vibrations