Geometry & MOs

Info

ID:	406717
PubChem CID:	135078444
Reduced:	SeSiO10C51H64 (1)
Stoich.:	ABC10D51E64 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-378.52
Dipole, Da:	4.08
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-[prop-2-enyl(prop-2-ynyl)amino]butanoate

Drug info:

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H](CO[C@H](O2)C3=CC=C(C=C3)OC)O[C@H]1CC=CO[C@H]4C[C@H]([C@@H](O[C@@H]4CC(=O)[Se]C5=CC=CC=C5)COCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations