Geometry & MOs

Info

ID:	434937
PubChem CID:	135176035
Reduced:	BrSF2N3O6C35H40 (1)
Stoich.:	ABC2D3E6F35G40 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-313.91
Dipole, Da:	6.22
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(4-methylcyclohexyl)oxyphenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCC6

DOS

IR

Vibrations