Geometry & MOs

Info

ID:	133565
PubChem CID:	51552354
Reduced:	O2N4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	426.073537
ΔH_f, kcal/mol:	49.82
Dipole, Da:	5.16
IP(EA), eV:	-8.38(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4S)-1-(4-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]-5-oxo-4-(trifluoromethyl)imidazol-2-olate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NN=C2C=CC(=O)C(=C2)/C=N/NC(=O)[C@@H]3C[C@@H]3C4=CC=C(C=C4)C(C)(C)C)C

DOS

IR

Vibrations