Geometry & MOs

Info

ID:	177350
PubChem CID:	76172327
Reduced:	N3F4O4H12C16 (1)
Stoich.:	A3B4C4D12E16 (1)
Weight, g/mol:	463.141321
ΔH_f, kcal/mol:	-301.55
Dipole, Da:	6.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762946
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-(1-hydroxypropylidene)-2-oxoindol-1-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1C[N+]2=C(C(=O)C(=O)N(C2=O)CC(F)(F)F)C(=O)N1CC3=CC=C(C=C3)F

DOS

IR

Vibrations