Geometry & MOs

Info

ID:	151155
PubChem CID:	53790855
Reduced:	BrNOF2H4C7 (1)
Stoich.:	ABCD2E4F7 (1)
Weight, g/mol:	446.88284
ΔH_f, kcal/mol:	-103.54
Dipole, Da:	3.47
IP(EA), eV:	-10.34(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo (2S)-3-(4-hydroxyphenyl)-2-(iodoamino)-2-methylpropanoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)F)Br)C(=O)N

DOS

IR

Vibrations