Geometry & MOs

Info

ID:	211862
PubChem CID:	81054707
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	382.99532
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	5.02
IP(EA), eV:	-8.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-iodoanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)OCCOC(C)C

DOS

IR

Vibrations