Geometry & MOs

Info

ID:	335076
PubChem CID:	127253882
Reduced:	ClSN3O7C24H32 (1)
Stoich.:	ABC3D7E24F32 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-248.48
Dipole, Da:	4.53
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6,7-dimethoxy-2-[4-(3-oxo-1H-isoindol-2-yl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCS(=O)(=O)N4CCCN(CC4)C

DOS

IR

Vibrations