Geometry & MOs

Info

ID:	46805
PubChem CID:	10527470
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	448.257337
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	15.06
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[1-hydroxy-2-[[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](S[C@@H]1N2C=NC3=C2NC=NC3=O)COCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations