Geometry & MOs

Info

ID:	410738
PubChem CID:	135083539
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	255.027789
ΔH_f, kcal/mol:	7.51
Dipole, Da:	3.7
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,5-difluoroanilino)-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

CC(=O)C1(CC1)C#CC2=CC=C(C=C2)OC

DOS

IR

Vibrations