Geometry & MOs

Info

ID:	58145
PubChem CID:	24424380
Reduced:	SN2F3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	389.10204
ΔH_f, kcal/mol:	-114.16
Dipole, Da:	6.29
IP(EA), eV:	-8.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1C)C(=S)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations