Geometry & MOs

Info

ID:	326538
PubChem CID:	126687738
Reduced:	NO12C44H69 (1)
Stoich.:	AB12C44D69 (1)
Weight, g/mol:	160.121178
ΔH_f, kcal/mol:	-397.55
Dipole, Da:	8.99
IP(EA), eV:	-8.45(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2,4-bis(methylamino)butanoic acid

Drug info:

Smile

C[C@@H]1C[C@@H]([C@@H]2C(C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC

DOS

IR

Vibrations