Geometry & MOs

Info

ID:

46576

PubChem CID:

10525323

Reduced:

NO7C21H27 (1)

Stoich.:

AB7C21D27 (1)

Weight, g/mol:

405.201219

ΔHf, kcal/mol:

-289.44

Dipole, Da:

2.53

IP(EA), eV:

 -8.77(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6S,7R,8S)-11-[2-(ethylamino)ethylamino]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

CCOC(=O)N1C[C@@H]([C@@H]([C@H]1C(=O)OC)CC(=O)OC)/C(=C/C2=CC=C(C=C2)O)/C

DOS

IR

Vibrations