Geometry & MOs

Info

ID:	246134
PubChem CID:	103046591
Reduced:	ClFSN2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	304.08124
ΔH_f, kcal/mol:	6.29
Dipole, Da:	6.22
IP(EA), eV:	-8.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-fluorophenyl)methyl-(2-methoxyethyl)amino]propanethioamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Cl)F)C2=CC=CC(=C2)C(=S)N

DOS

IR

Vibrations