Geometry & MOs

Info

ID:	89931
PubChem CID:	49965413
Reduced:	SN3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	506.0776
ΔH_f, kcal/mol:	62.18
Dipole, Da:	5.37
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCSC1=C(C=C2CN(CCC2=N1)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations