Geometry & MOs

Info

ID:	381275
PubChem CID:	134971959
Reduced:	Br2O5C10H12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	333.02119
ΔH_f, kcal/mol:	-171.11
Dipole, Da:	3.13
IP(EA), eV:	-9.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,3R)-2-[(1R)-3-bromo-1-hydroxybut-3-enyl]-3-methoxy-4-oxoazetidin-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1(C2(CC(C1(C(=O)C2=O)Br)CO)Br)OC

DOS

IR

Vibrations