Geometry & MOs

Info

ID:	263193
PubChem CID:	103345009
Reduced:	BrON2S2C15H23 (1)
Stoich.:	ABC2D2E15F23 (1)
Weight, g/mol:	310.106122
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	2.2
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dimethyl-1,4-dithian-2-yl)-(2-propan-2-yloxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(=O)C2CSC(C(S2)C)C)CC

DOS

IR

Vibrations