Geometry & MOs

Info

ID:	46358
PubChem CID:	10524049
Reduced:	FSN2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	384.01226
ΔH_f, kcal/mol:	6.93
Dipole, Da:	1.53
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-bromo-2-(1-bromo-4-tert-butylcyclohexyl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=NC(=CS2)CCN

DOS

IR

Vibrations