Geometry & MOs

Info

ID:	52637
PubChem CID:	12015588
Reduced:	S3F5C11H11 (1)
Stoich.:	A3B5C11D11 (1)
Weight, g/mol:	365.998113
ΔH_f, kcal/mol:	-237.6
Dipole, Da:	4.63
IP(EA), eV:	-8.88(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl 2,2,2-trichloroacetate

Drug info:

PubChemData

Smile

CC1=C(CSC2(C1)C(=C(SS2)C(C(F)F)(F)F)F)C

DOS

IR

Vibrations