Geometry & MOs

Info

ID:	276350
PubChem CID:	103822355
Reduced:	ClINO3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	393.02372
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	2.68
IP(EA), eV:	-9.62(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(4-fluoro-2-iodobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations