Geometry & MOs

Info

ID:	275902
PubChem CID:	103818881
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	326.035912
ΔH_f, kcal/mol:	27.3
Dipole, Da:	4.16
IP(EA), eV:	-8.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations