Geometry & MOs

Info

ID:	30388
PubChem CID:	841241
Reduced:	ClSN2O2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	3.36
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-methoxyanilino)-1-pyridin-3-ylpent-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)NN=C(C)C2=CC=CS2

DOS

IR

Vibrations