Geometry & MOs

Info

ID:	186982
PubChem CID:	77511295
Reduced:	NO4C28H31 (1)
Stoich.:	AB4C28D31 (1)
Weight, g/mol:	595.358114
ΔH_f, kcal/mol:	-89.53
Dipole, Da:	3.55
IP(EA), eV:	-8.22(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[4-[4-[[3-propan-2-yl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrazolidin-4-yl]methyl]phenyl]butanoylamino]hexanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C3CC4C5CCC(=O)C6C5(C3=C(O6)C(=C2)O)CCN4CC7CC7

DOS

IR

Vibrations