Geometry & MOs

Info

ID:	200582
PubChem CID:	79412812
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	308.079491
ΔH_f, kcal/mol:	44.74
Dipole, Da:	5.4
IP(EA), eV:	-8.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[3-(difluoromethoxy)phenyl]-4-propylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1N)C#N)C2=CC(=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations