Geometry & MOs

Info

ID:	296078
PubChem CID:	117555195
Reduced:	SN2O2C7H16 (1)
Stoich.:	AB2C2D7E16 (1)
Weight, g/mol:	181.067369
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	3.45
IP(EA), eV:	-9.96(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylamino)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CCNS(=O)(=O)N1CC1

DOS

IR

Vibrations