Geometry & MOs

Info

ID:	33758
PubChem CID:	7887962
Reduced:	OS2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	365.083014
ΔH_f, kcal/mol:	60.53
Dipole, Da:	4.48
IP(EA), eV:	-9.05(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)N(CCC#N)CCC#N

DOS

IR

Vibrations