Geometry & MOs

Info

ID:	264021
PubChem CID:	103418036
Reduced:	OS2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	324.076634
ΔH_f, kcal/mol:	14.76
Dipole, Da:	4.54
IP(EA), eV:	-8.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCSC1)C2=C(C(=C(S2)C(=O)NC3CC3)N)C#N

DOS

IR

Vibrations