Geometry & MOs

Info

ID:	246133
PubChem CID:	103046586
Reduced:	ClFSN2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	308.055025
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	4.88
IP(EA), eV:	-8.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-fluorophenyl)methyl-methylamino]benzenecarbothioamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Cl)F)CC(=S)N

DOS

IR

Vibrations