Geometry & MOs

Info

ID:	136661
PubChem CID:	52080949
Reduced:	FSN3O3H18C22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	341.090807
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	5.36
IP(EA), eV:	-8.61(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-6-phenyl-2,3-dihydro-1,4-dithiine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C2=NC(=NO2)C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations