Geometry & MOs

Info

ID:	134134
PubChem CID:	51650273
Reduced:	SN2F3O4H12C15 (1)
Stoich.:	AB2C3D4E12F15 (1)
Weight, g/mol:	433.154566
ΔH_f, kcal/mol:	-228.33
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764920
Charge, e:	-1

Chem-info

IUPAC name:

ethoxy-[4-ethylimino-3-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]cyclohexa-2,5-dien-1-ylidene]methanolate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=N)[O-])NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations