Geometry & MOs

Info

ID:	89915
PubChem CID:	49965346
Reduced:	S2N3O8H19C20 (1)
Stoich.:	A2B3C8D19E20 (1)
Weight, g/mol:	516.103831
ΔH_f, kcal/mol:	-261.77
Dipole, Da:	2.81
IP(EA), eV:	-8.66(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-benzyl-N-(6-nitro-1,3-benzothiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N)OC

DOS

IR

Vibrations