Geometry & MOs

Info

ID:	173672
PubChem CID:	75668003
Reduced:	SO2F3N5H11C13 (1)
Stoich.:	AB2C3D5E11F13 (1)
Weight, g/mol:	453.213795
ΔH_f, kcal/mol:	-133.33
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772110
Charge, e:	-1

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(1,3,5-trimethylpyrazol-4-yl)methanolate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CC2C(=NC(=NC(=N)N)S2)[O-]

DOS

IR

Vibrations