Geometry & MOs

Info

ID:	70142
PubChem CID:	47208118
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	312.033541
ΔH_f, kcal/mol:	-129.79
Dipole, Da:	4.63
IP(EA), eV:	-10.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyanomethylsulfanyl)acetate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)N

DOS

IR

Vibrations