Geometry & MOs

Info

ID:	36652
PubChem CID:	8010329
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	400.035163
ΔH_f, kcal/mol:	49.72
Dipole, Da:	9.48
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,11S,12R,16R)-14-(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadeca-4(8),9-diene-6,13,15-trione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NNC(=N3)N

DOS

IR

Vibrations