Geometry & MOs

Info

ID:	444280
PubChem CID:	135261945
Reduced:	SN2O4F6C26H29 (1)
Stoich.:	AB2C4D6E26F29 (1)
Weight, g/mol:	154.04415
ΔH_f, kcal/mol:	-386.73
Dipole, Da:	7.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.786235
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,3-difluorobut-2-ene

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OCCN3CCCCC3)S(=O)[O-]

DOS

IR

Vibrations