Geometry & MOs

Info

ID:	322619
PubChem CID:	126670665
Reduced:	BrO4N7C29H30 (1)
Stoich.:	AB4C7D29E30 (1)
Weight, g/mol:	319.179501
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	3.73
IP(EA), eV:	-9.18(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-butyl 1-O-tert-butyl (2S)-4-[(1R)-1-fluoro-2-hydroxyethyl]azetidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@](C[C@H](N1C(=O)CN2C3=C(C=C(C=C3)C4=CN=C(N=C4)C)C(=N2)C(=O)C)C(=O)NC5=NC(=CC=C5)Br)(C)CO

DOS

IR

Vibrations