Geometry & MOs

Info

ID:	31387
PubChem CID:	855648
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	4.79
IP(EA), eV:	-8.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-amino-6-methylthieno[2,3-b]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)OC)N)C

DOS

IR

Vibrations