Geometry & MOs

Info

ID:	127611
PubChem CID:	51008364
Reduced:	SN2F3O5C21H25 (1)
Stoich.:	AB2C3D5E21F25 (1)
Weight, g/mol:	429.83904
ΔH_f, kcal/mol:	-326.93
Dipole, Da:	11.5
IP(EA), eV:	-9.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,12R)-13,13,14-tribromotetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CCOC)C1=C(C(=O)[C@@H]2CC[C@H]1C2)C(=O)C3=C(N=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations