Geometry & MOs

Info

ID:

185125

PubChem CID:

77258642

Reduced:

F2N5O11C41H41 (1)

Stoich.:

A2B5C11D41E41 (1)

Weight, g/mol:

364.125692

ΔHf, kcal/mol:

-456.94

Dipole, Da:

15.18

IP(EA), eV:

 -9.29(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7a-(2-fluorophenyl)-6-oxo-4,4a,5,7-tetrahydrocyclopenta[d][1,3]thiazin-2-yl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3(CCN(CC3)C4=C(C=C5C(=O)C(=CN(C5=N4)C6CC6)C(=O)O)F)OC(=O)CCC(=O)OCC7=CC=CC=C7)F

DOS

IR

Vibrations