Geometry & MOs

Info

ID:	276351
PubChem CID:	103822357
Reduced:	FINO3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	281.142722
ΔH_f, kcal/mol:	-165.68
Dipole, Da:	2.93
IP(EA), eV:	-9.83(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(C=C(C=C1)F)I

DOS

IR

Vibrations