Geometry & MOs

Info

ID:

322721

PubChem CID:

126670902

Reduced:

BrO3N7H26C28 (1)

Stoich.:

AB3C7D26E28 (1)

Weight, g/mol:

463.063679

ΔHf, kcal/mol:

15.76

Dipole, Da:

9.89

IP(EA), eV:

 -8.88(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[2-acetylimino-4-methyl-5-(propan-2-ylsulfamoyl)-1,3-thiazol-3-yl]methyl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1[C@@H]2[C@H]1[C@H](N(C2)C(=O)CN3C4=C(C=C(C=C4)C5=CN=C(N=C5)C)C(=N3)C(=O)C)C(=O)NC6=NC(=CC=C6)Br

DOS

IR

Vibrations