Geometry & MOs

Info

ID:	45479
PubChem CID:	10514041
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-61.84
Dipole, Da:	6.36
IP(EA), eV:	-9.11(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl 3-(N-methylanilino)-3-oxopropanethioate

Drug info:

PubChemData

Smile

CN(C)[C@H]1CCCC[C@@H]1OC(=O)N2C=CN=C2

DOS

IR

Vibrations