Geometry & MOs

Info

ID:	308623
PubChem CID:	126497172
Reduced:	NSC3O4H9 (1)
Stoich.:	ABC3D4E9 (1)
Weight, g/mol:	961.457218
ΔH_f, kcal/mol:	-190.68
Dipole, Da:	6.33
IP(EA), eV:	-10.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetamido-3,4-diacetyloxy-6-[5-[[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]amino]-5-oxopentoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(N)OS(=O)(=O)O

DOS

IR

Vibrations