Geometry & MOs

Info

ID:	200583
PubChem CID:	79412813
Reduced:	OSF2N2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	4.58
IP(EA), eV:	-8.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(2,3-dimethoxyphenyl)-4-propylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1N)C#N)C2=CC(=CC=C2)OC(F)F

DOS

IR

Vibrations