Geometry & MOs

Info

ID:	77009
PubChem CID:	48425703
Reduced:	BrN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	-89.63
Dipole, Da:	3.09
IP(EA), eV:	-9.46(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations