Geometry & MOs

Info

ID:	391481
PubChem CID:	135005620
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	357.966361
ΔH_f, kcal/mol:	-54.04
Dipole, Da:	5.44
IP(EA), eV:	-8.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-16-(trichloromethyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C[C@@]3(C[C@@H]3[C@H]2C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations