Geometry & MOs

Info

ID:	195830
PubChem CID:	78737523
Reduced:	O2N4C16H25 (1)
Stoich.:	A2B4C16D25 (1)
Weight, g/mol:	377.083014
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	6.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754873
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 5-chloro-2-fluorobenzoate

Drug info:

PubChemData

Smile

CCCCC1(C2(C1(C([NH+]=C2N)(OCC)OCC)C#N)C#N)C

DOS

IR

Vibrations