Geometry & MOs

Info

ID:	139616
PubChem CID:	52571681
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	429.0158
ΔH_f, kcal/mol:	-151.2
Dipole, Da:	7.39
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCCC2

DOS

IR

Vibrations