Geometry & MOs

Info

ID:	243008
PubChem CID:	99215008
Reduced:	SN2O4C25H32 (1)
Stoich.:	AB2C4D25E32 (1)
Weight, g/mol:	477.19738
ΔH_f, kcal/mol:	-144.36
Dipole, Da:	8.75
IP(EA), eV:	-8.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C[C@H]3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations