Geometry & MOs

Info

ID:	178117
PubChem CID:	76280527
Reduced:	FS2N3O4C21H28 (1)
Stoich.:	AB2C3D4E21F28 (1)
Weight, g/mol:	476.134068
ΔH_f, kcal/mol:	-161.25
Dipole, Da:	3.75
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-methylanilino)phenyl]-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-10-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)N(C)CCCC2CC(NN2)C3=CC(=CC=C3)F

DOS

IR

Vibrations