Geometry & MOs

Info

ID:	404242
PubChem CID:	135065519
Reduced:	OS3C23H34 (1)
Stoich.:	AB3C23D34 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	2.74
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-formamido-2-(N-methylanilino)acetate

Drug info:

PubChemData

Smile

CCCCCCC(C(=C1SCCCS1)C2=CC=CC=C2)C(=O)SCCCC

DOS

IR

Vibrations