Geometry & MOs

Info

ID:	69176
PubChem CID:	46530308
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	383.07322
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	5.45
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

DOS

IR

Vibrations