Geometry & MOs

Info

ID:	89923
PubChem CID:	49965400
Reduced:	ClS2N3O6H16C18 (1)
Stoich.:	AB2C3D6E16F18 (1)
Weight, g/mol:	459.161663
ΔH_f, kcal/mol:	-185.25
Dipole, Da:	4.54
IP(EA), eV:	-8.55(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-6-benzyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N)OC)Cl

DOS

IR

Vibrations