Geometry & MOs

Info

ID:	435701
PubChem CID:	135192194
Reduced:	FSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	508.269005
ΔH_f, kcal/mol:	-129.12
Dipole, Da:	4.26
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9Z)-6-butyl-5-ethenyl-14-ethyl-4-fluoro-9-[3-(4-fluorophenyl)phenyl]-15-methyl-8,11-diazatricyclo[9.3.1.02,7]pentadeca-1(14),2,4,6,9,12-hexaene

Drug info:

PubChemData

Smile

CCCN1C2=C(C=CC1=O)C=C(C=C2)NS(=O)(=O)CC3=CC(=C(C=C3)C)F

DOS

IR

Vibrations