Geometry & MOs

Info

ID:

5408

PubChem CID:

13116

Reduced:

N4O5C16H20 (1)

Stoich.:

A4B5C16D20 (1)

Weight, g/mol:

348.14337

ΔHf, kcal/mol:

-134.47

Dipole, Da:

2.77

IP(EA), eV:

 -8.96(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6S,7R,8S)-11-amino-7-methoxy-5,12-dimethyl-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

CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C)N

DOS

IR

Vibrations