Geometry & MOs

Info

ID:

187199

PubChem CID:

77543445

Reduced:

SN3O7C32H43 (1)

Stoich.:

AB3C7D32E43 (1)

Weight, g/mol:

378.11619

ΔHf, kcal/mol:

-278.58

Dipole, Da:

1.7

IP(EA), eV:

 -8.97(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(6-fluoro-12-oxo-4-thia-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraen-2-yl)methyl]piperidin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCN(C(CCCC(CC)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)O)CO)S(=O)(=O)C3=CC=C(C=C3)CO

DOS

IR

Vibrations