Geometry & MOs

Info

ID:	375905
PubChem CID:	134221901
Reduced:	BrN2O2F3C29H34 (1)
Stoich.:	AB2C2D3E29F34 (1)
Weight, g/mol:	310.157112
ΔH_f, kcal/mol:	-209.95
Dipole, Da:	5.49
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethenyl-[6-[ethenyl(dimethyl)-lambda4-sulfanyl]-1,1-dimethyl-1,2,6-thiadiazinan-2-yl]-dimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C(/C=C/C2=CC(=C(C=C2)C(=O)NC3CCN(CC3)C4COC4)Br)C(F)(F)F)C)C

DOS

IR

Vibrations