Geometry & MOs

Info

ID:	212396
PubChem CID:	81060408
Reduced:	SN3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	325.020724
ΔH_f, kcal/mol:	12.35
Dipole, Da:	6.08
IP(EA), eV:	-8.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N2CCCCCC2

DOS

IR

Vibrations