Geometry & MOs

Info

ID:	28666
PubChem CID:	828848
Reduced:	SN2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	261.068431
ΔH_f, kcal/mol:	48.26
Dipole, Da:	8.59
IP(EA), eV:	-8.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethylideneamino)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(CCCC3)C(=S)N=C2C4=CC=CC=C4

DOS

IR

Vibrations