Geometry & MOs

Info

ID:	46665
PubChem CID:	10526101
Reduced:	SN3O6C19H21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	419.105211
ΔH_f, kcal/mol:	-154.22
Dipole, Da:	10.68
IP(EA), eV:	-9.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations