Geometry & MOs

Info

ID:	243147
PubChem CID:	99216012
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	456.204907
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	7.72
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=CC=CC(=C2)NC(=O)[C@@H]3CSCN3C(=O)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations