Geometry & MOs

Info

ID:	296532
PubChem CID:	117581919
Reduced:	NSO4C11H23 (1)
Stoich.:	ABC4D11E23 (1)
Weight, g/mol:	257.098669
ΔH_f, kcal/mol:	-210.34
Dipole, Da:	5.94
IP(EA), eV:	-9.0(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-ylanilino)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)(C)CNCC(CS(=O)(=O)C)C(=O)O

DOS

IR

Vibrations