Geometry & MOs

Info

ID:	434920
PubChem CID:	135176005
Reduced:	BrSF2N3O6C35H42 (1)
Stoich.:	ABC2D3E6F35G42 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-335.39
Dipole, Da:	5.73
IP(EA), eV:	-9.11(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(cyclohexylmethoxy)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)N(C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5

DOS

IR

Vibrations