Geometry & MOs

Info

ID:	413207
PubChem CID:	135086153
Reduced:	NOH8C10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	370.01826
ΔH_f, kcal/mol:	2.51
Dipole, Da:	4.13
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S,4S,6R)-7-bromo-3-(2-chloroacetyl)oxy-2,4,6-trimethyl-7-oxoheptanoate

Drug info:

PubChemData

Smile

C1COC(=N1)C2=CC=CC=C2NC(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations