Geometry & MOs

Info

ID:	272001
PubChem CID:	103712586
Reduced:	BrNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	283.135448
ΔH_f, kcal/mol:	-164.54
Dipole, Da:	5.32
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide

Drug info:

PubChemData

Smile

CC(CCOC)(CNC(=O)C1=C(C=C(C=C1)Br)OC)O

DOS

IR

Vibrations