Geometry & MOs

Info

ID:	382248
PubChem CID:	134973275
Reduced:	N3O6C36H53 (1)
Stoich.:	A3B6C36D53 (1)
Weight, g/mol:	623.393436
ΔH_f, kcal/mol:	-290.88
Dipole, Da:	1.94
IP(EA), eV:	-8.83(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]([C@H](CCCOC(=O)N1C(COC1(C)C)(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3)OC(=O)N4C(COC4(C)C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]([C@H](CCCOC(=O)N1C(COC1(C)C)(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3)OC(=O)N4C(COC4(C)C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):