Geometry & MOs

Info

ID:	228865
PubChem CID:	87566005
Reduced:	ClO2N3F5H23C25 (1)
Stoich.:	AB2C3D5E23F25 (1)
Weight, g/mol:	536.053653
ΔH_f, kcal/mol:	-286.35
Dipole, Da:	6.69
IP(EA), eV:	-9.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-5-(dithiolan-3-yl)-N-[5-(dithiolan-3-yl)pentanoyl]pentanamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H](C1=CC=C(C=C1)Cl)N[C@H](CCC2=CN=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)OC(F)F

DOS

IR

Vibrations