Geometry & MOs

Info

ID:

149202

PubChem CID:

53788874

Reduced:

O8N11C27H47 (1)

Stoich.:

A8B11C27D47 (1)

Weight, g/mol:

345.186398

ΔHf, kcal/mol:

-362.11

Dipole, Da:

13.21

IP(EA), eV:

 -8.99(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(3-aminopyrrolidin-1-yl)-1-ethyl-7,9-difluoro-4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations