Geometry & MOs

Info

ID:	428478
PubChem CID:	135167423
Reduced:	BrSO2C24H31 (1)
Stoich.:	ABC2D24E31 (1)
Weight, g/mol:	483.06226
ΔH_f, kcal/mol:	6.0
Dipole, Da:	2.11
IP(EA), eV:	-7.17(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(CCC#CS(C)(C)C)Br)COCC2=CC=C(C=C2)OC

DOS

IR

Vibrations