Geometry & MOs

Info

ID:	124934
PubChem CID:	50904705
Reduced:	NOSC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	361.93401
ΔH_f, kcal/mol:	-48.45
Dipole, Da:	4.81
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,5R,6S,8R,9S,10S)-7,7-dibromo-1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl] acetate

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)C3=CC4=C(S3)CCC4

DOS

IR

Vibrations