Geometry & MOs

Info

ID:	58546
PubChem CID:	24702278
Reduced:	OSN2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	10.32
Dipole, Da:	1.77
IP(EA), eV:	-8.62(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-ethyl-2-methylanilino)butanethioamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=S)N

DOS

IR

Vibrations