Geometry & MOs

Info

ID:	147855
PubChem CID:	53787513
Reduced:	NO2H13C18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	364.08909
ΔH_f, kcal/mol:	-7.63
Dipole, Da:	2.83
IP(EA), eV:	-8.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-sulfanylidene-4-(trifluoromethyl)-8-thia-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-14-one

Drug info:

PubChemData

Smile

C1C=CC2=CC=CC=C2C1N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations