Geometry & MOs

Info

ID:	288873
PubChem CID:	104327480
Reduced:	FSN2O3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	4.75
IP(EA), eV:	-10.05(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoro-2-methylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NCC2=NC(=C(S2)C(=O)O)C

DOS

IR

Vibrations