Geometry & MOs

Info

ID:

5969

PubChem CID:

14198

Reduced:

N4O6C17H20 (1)

Stoich.:

A4B6C17D20 (1)

Weight, g/mol:

376.138284

ΔHf, kcal/mol:

-121.03

Dipole, Da:

2.82

IP(EA), eV:

 -9.02(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7R,8S)-5-acetyl-11-amino-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

CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)C)N

DOS

IR

Vibrations