Geometry & MOs

Info

ID:	145487
PubChem CID:	53535266
Reduced:	SO3N4C22H34 (1)
Stoich.:	AB3C4D22E34 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-83.6
Dipole, Da:	6.69
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(C)C3=NC(=NO3)C(C)C)C)C

DOS

IR

Vibrations