Geometry & MOs

Info

ID:	84171
PubChem CID:	49864734
Reduced:	O5C28H44 (1)
Stoich.:	A5B28C44 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-246.91
Dipole, Da:	7.38
IP(EA), eV:	-9.69(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@]2([C@]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC(=O)[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@H](C6)O)C)C)(C)O)OC1(C)C

DOS

IR

Vibrations