Geometry & MOs

Info

ID:	226155
PubChem CID:	87325931
Reduced:	SO3N6C24H24 (1)
Stoich.:	AB3C6D24E24 (1)
Weight, g/mol:	262.05684
ΔH_f, kcal/mol:	-10.2
Dipole, Da:	3.64
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylpropan-2-yl 2-bromoacetate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(C=C2)CN[C@H]3CCCN(C3)C4=NC=CC(=N4)/C=C/5\C(=O)NC(=O)S5

DOS

IR

Vibrations