Geometry & MOs

Info

ID:	320883
PubChem CID:	126664103
Reduced:	OS2N3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	514.363323
ΔH_f, kcal/mol:	15.53
Dipole, Da:	3.51
IP(EA), eV:	-8.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)NC=O

DOS

IR

Vibrations