Geometry & MOs

Info

ID:	413831
PubChem CID:	135086781
Reduced:	BrNSO3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	280.159217
ΔH_f, kcal/mol:	-39.84
Dipole, Da:	2.42
IP(EA), eV:	-8.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphonoylbenzene

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations