Geometry & MOs

Info

ID:	47417
PubChem CID:	10532488
Reduced:	N3O9C37H41 (1)
Stoich.:	A3B9C37D41 (1)
Weight, g/mol:	304.051778
ΔH_f, kcal/mol:	-320.93
Dipole, Da:	7.53
IP(EA), eV:	-9.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-6,8-dimethyl-5-oxothieno[2,3-c][2,7]naphthyridine-9-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(=O)N(CCC2=CC=CC=C2)CC(=O)O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations