Geometry & MOs

Info

ID:	277697
PubChem CID:	103830444
Reduced:	BrSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	355.04192
ΔH_f, kcal/mol:	-29.65
Dipole, Da:	2.81
IP(EA), eV:	-9.14(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-bromo-3-hydroxybenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations