Geometry & MOs

Info

ID:	33732
PubChem CID:	7887815
Reduced:	OS2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	297.137636
ΔH_f, kcal/mol:	21.96
Dipole, Da:	7.6
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=CC=NN4C(C)C

DOS

IR

Vibrations