Geometry & MOs

Info

ID:	76831
PubChem CID:	48425445
Reduced:	BrN3O4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	317.177313
ΔH_f, kcal/mol:	-136.29
Dipole, Da:	4.7
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-methylsulfanyl-2-(propanoylamino)butanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CN(C)C(=O)C1=CC=C(O1)Br

DOS

IR

Vibrations