Geometry & MOs

Info

ID:	407445
PubChem CID:	135080138
Reduced:	NF3O5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	-268.93
Dipole, Da:	6.12
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3-methoxyanilino)-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)CN2C(=O)C3=C(C=CC=C3O2)C(F)(F)F)OC

DOS

IR

Vibrations