Geometry & MOs

Info

ID:	89907
PubChem CID:	49965324
Reduced:	S3N4O6H16C19 (1)
Stoich.:	A3B4C6D16E19 (1)
Weight, g/mol:	361.088498
ΔH_f, kcal/mol:	-166.66
Dipole, Da:	2.68
IP(EA), eV:	-9.36(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-amino-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N)C#N)C

DOS

IR

Vibrations