Geometry & MOs

Info

ID:	79597
PubChem CID:	49829669
Reduced:	OSC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	407.97794
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	0.32
IP(EA), eV:	-8.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N'-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(=O)OC1CC[C@]2(C3CC[C@@]4(C(C3CC=C2C1)CCC45SCCCS5)C)C

DOS

IR

Vibrations