Geometry & MOs

Info

ID:

314241

PubChem CID:

126621003

Reduced:

ClSO4N5C19H22 (1)

Stoich.:

ABC4D5E19F22 (1)

Weight, g/mol:

436.108437

ΔHf, kcal/mol:

-74.88

Dipole, Da:

4.75

IP(EA), eV:

 -9.2(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)methyl]-1-imino-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(N=C1)OC3=C2N=C(N=C3N4CCOCC4)Cl)N5CCS(=O)(=O)CC5

DOS

IR

Vibrations