Geometry & MOs

Info

ID:	25593
PubChem CID:	627026
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	299.043856
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	2.61
IP(EA), eV:	-8.81(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)iminomethyl]-1-benzothiophene-3-thiol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C3C(=O)N4CCCN=C4S3)C1=O

DOS

IR

Vibrations