Geometry & MOs

Info

ID:

214698

PubChem CID:

85083428

Reduced:

SN7O9C22H41 (1)

Stoich.:

AB7C9D22E41 (1)

Weight, g/mol:

581.186327

ΔHf, kcal/mol:

-430.49

Dipole, Da:

5.08

IP(EA), eV:

 -9.52(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-9-yl] benzoate

Drug info:

PubChemData

Smile

C(CCN)CC(C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations