Geometry & MOs

Info

ID:

46861

PubChem CID:

10527971

Reduced:

SiN2O4C25H40 (1)

Stoich.:

AB2C4D25E40 (1)

Weight, g/mol:

460.173814

ΔHf, kcal/mol:

-221.05

Dipole, Da:

5.48

IP(EA), eV:

 -9.15(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R)-6-benzyl-16-chloro-3-methyl-4,7-dioxo-2,5,8,13,15,17,18-heptazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene-9-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@H]1[C@H](C(=O)N1CC2=CC=CC=C2)N3[C@H](COC3=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations