Geometry & MOs

Info

ID:	381053
PubChem CID:	134971680
Reduced:	BrClSi2N5O10C53H77 (1)
Stoich.:	ABC2D5E10F53G77 (1)
Weight, g/mol:	161.105193
ΔH_f, kcal/mol:	-383.12
Dipole, Da:	43.15
IP(EA), eV:	-6.18(-3.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-amino-2-hydroxy-4-methylhexanoic acid

Drug info:

Smile

CCOC(=O)[C@@H]1[C@H](C2=C(C(=C(C=C2)OC3=C(C(=CC(=C3)[C@H](C(=O)C[C@@H](C(=O)N1)C4=CC=C(C=C4)OC)NC(=O)OC(C)(C)C)Br)N=NN5CCCC5)Cl)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations