Geometry & MOs

Info

ID:

310774

PubChem CID:

126587387

Reduced:

O4C27H36 (1)

Stoich.:

A4B27C36 (1)

Weight, g/mol:

567.094801

ΔHf, kcal/mol:

-145.07

Dipole, Da:

1.84

IP(EA), eV:

 -9.47(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3-[(3-nitroso-3-oxopropyl)carbamoylamino]-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC[C@H](C[C@H]1OC(=O)/C(=C/C2=C([C@@H](C[C@@H](C2)C(=C)C)OC(=O)C=C)C)/C)C(=C)C

DOS

IR

Vibrations