Geometry & MOs

Info

ID:	218380
PubChem CID:	85089251
Reduced:	FS2N3O4C20H24 (1)
Stoich.:	AB2C3D4E20F24 (1)
Weight, g/mol:	453.19738
ΔH_f, kcal/mol:	-177.4
Dipole, Da:	5.12
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,14-dimethyl-3-(4-methylphenyl)sulfonyl-3-azapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=S)NCC2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCOC4=S)F

DOS

IR

Vibrations