Geometry & MOs

Info

ID:	211846
PubChem CID:	81054416
Reduced:	SN3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	265.161269
ΔH_f, kcal/mol:	-3.89
Dipole, Da:	5.89
IP(EA), eV:	-8.5(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hexan-2-ylamino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations