Geometry & MOs

Info

ID:

47411

PubChem CID:

10532460

Reduced:

S2N6O8C29H44 (1)

Stoich.:

A2B6C8D29E44 (1)

Weight, g/mol:

668.265315

ΔHf, kcal/mol:

-352.24

Dipole, Da:

5.17

IP(EA), eV:

 -9.36(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-benzyl 4-O-methyl (3R,5S)-3-(1-adamantylmethyl)-1-[(2-chlorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(=NCCCNC(=O)[C@@H]1CS[C@@H]2N1C(=O)[C@H](CC2)NS(=O)(=O)CC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations