Geometry & MOs

Info

ID:	148431
PubChem CID:	53788093
Reduced:	NO6C14H25 (1)
Stoich.:	AB6C14D25 (1)
Weight, g/mol:	596.215854
ΔH_f, kcal/mol:	-321.9
Dipole, Da:	2.89
IP(EA), eV:	-10.14(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[2-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-2-sulfanylideneacetyl]amino]ethylsulfanylmethyl]-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-5-methoxy-6-methylbenzoate

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

CC(C)(C)N([C@@H](CCC(=O)O)C(=O)O)C(=O)OC(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

CC(C)(C)N([C@@H](CCC(=O)O)C(=O)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):