Geometry & MOs

Info

ID:

186659

PubChem CID:

77464149

Reduced:

SN4O5C44H56 (1)

Stoich.:

AB4C5D44E56 (1)

Weight, g/mol:

572.192726

ΔHf, kcal/mol:

-178.14

Dipole, Da:

6.77

IP(EA), eV:

 -8.94(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5,5-dimethyl-6-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1,1-dioxo-2,6-dihydrothiazin-3-yl]amino]-3-(2-fluorophenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCCCC(C2=O)NC(=O)C(CCC(CC3=CC=CC=C3)CNC4CCSC5CCCC(N5C4=O)C(=O)OC)CC6=CC=CC=C6

DOS

IR

Vibrations