Geometry & MOs

Info

ID:	58554
PubChem CID:	24702301
Reduced:	FS2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	34.37
Dipole, Da:	5.72
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamothioylphenyl)-4-[methyl(propan-2-yl)amino]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N)SCC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations