Geometry & MOs

Info

ID:

160871

PubChem CID:

57390062

Reduced:

O6N13C27H49 (2)

Stoich.:

A6B13C27D49 (2)

Weight, g/mol:

479.098491

ΔHf, kcal/mol:

-507.27

Dipole, Da:

18.43

IP(EA), eV:

 -9.02(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-fluoro-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CC1C(NC(=O)C(NC(=O)C(CC(=O)N1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC(=O)O)N)CC(=O)N)C(=O)N3CCCC3C(CC(=O)NCCC(CN=C(N)NCCCCNC(=NCCCCN=C(N)NCCCCNC(=NCCCCN=C(N)N)N)N)O)O

DOS

IR

Vibrations