Geometry & MOs

Info

ID:	264022
PubChem CID:	103418141
Reduced:	FON2S2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	303.084161
ΔH_f, kcal/mol:	-54.36
Dipole, Da:	5.62
IP(EA), eV:	-8.25(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-4-amino-2-[(4-fluorophenyl)methyl-methylamino]thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C(S1)N(C)CC2=CC=C(C=C2)F)SC)N

DOS

IR

Vibrations