Geometry & MOs

Info

ID:

218222

PubChem CID:

85089050

Reduced:

N2O3C11H12 (2)

Stoich.:

A2B3C11D12 (2)

Weight, g/mol:

440.13657

ΔHf, kcal/mol:

-150.17

Dipole, Da:

1.35

IP(EA), eV:

 -9.24(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[11-amino-7-methoxy-10,13-dioxo-12-(propan-2-ylsulfonylmethyl)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

COC12C(C3=C(N1CC4C2N4)C(=O)C(=C(C3=O)N)COCC5=CC=CC=C5)COC(=O)N

DOS

IR

Vibrations