Geometry & MOs

Info

ID:	89908
PubChem CID:	49965330
Reduced:	SO2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	478.113333
ΔH_f, kcal/mol:	18.86
Dipole, Da:	4.45
IP(EA), eV:	-8.48(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N

DOS

IR

Vibrations