Geometry & MOs

Info

ID:	263609
PubChem CID:	103382495
Reduced:	OSN5C14H25 (1)
Stoich.:	ABC5D14E25 (1)
Weight, g/mol:	248.053196
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	6.51
IP(EA), eV:	-8.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[(3-fluorophenyl)methylamino]-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCCN1CCCNC2=C(C(=NS2)N)C(=O)NC

DOS

IR

Vibrations