Geometry & MOs

Info

ID:	76791
PubChem CID:	48425391
Reduced:	BrN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	274.171499
ΔH_f, kcal/mol:	-132.99
Dipole, Da:	4.13
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[[2-(3-methylbutylsulfanyl)acetyl]amino]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations