Geometry & MOs

Info

ID:	12920
PubChem CID:	148373
Reduced:	SF2N3O3H11C14 (1)
Stoich.:	AB2C3D3E11F14 (1)
Weight, g/mol:	339.048919
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	5.71
IP(EA), eV:	-9.32(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2,2-difluoro-N-methyl-6-nitrochromene-4-carbothioamide

Drug info:

PubChemData

Smile

CN(CCC#N)C(=S)C1=CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(F)F

DOS

IR

Vibrations