Geometry & MOs

Info

ID:	90017
PubChem CID:	49965824
Reduced:	BrN4O4H17C18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	496.089138
ΔH_f, kcal/mol:	-56.33
Dipole, Da:	5.82
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)Br

DOS

IR

Vibrations