Geometry & MOs

Info

ID:	26751
PubChem CID:	798134
Reduced:	ClFN2S2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	9.28
Dipole, Da:	4.31
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations