Geometry & MOs

Info

ID:	401021
PubChem CID:	135049797
Reduced:	BrNS2F3O5H11C14 (1)
Stoich.:	ABC2D3E5F11G14 (1)
Weight, g/mol:	412.051528
ΔH_f, kcal/mol:	-303.36
Dipole, Da:	5.79
IP(EA), eV:	-9.21(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-ylsulfanyl-[1,2,3-tris(propan-2-ylsulfanyl)cycloprop-2-en-1-yl]sulfanylmethanethione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)Br

DOS

IR

Vibrations