Geometry & MOs

Info

ID:	262380
PubChem CID:	103289498
Reduced:	ClSN2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	314.121962
ΔH_f, kcal/mol:	42.73
Dipole, Da:	2.25
IP(EA), eV:	-9.04(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCC(C#N)N)Cl

DOS

IR

Vibrations