Geometry & MOs

Info

ID:	438364
PubChem CID:	135228100
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	368.151863
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	6.05
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-[(E)-2-chloroethenyl]oct-1-enyl]-3-methyl-1-(trifluoromethyl)-1H-indene

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CN=CO4

DOS

IR

Vibrations