Geometry & MOs

Info

ID:	341801
PubChem CID:	127264494
Reduced:	BrFO3N5C24H25 (1)
Stoich.:	ABC3D5E24F25 (1)
Weight, g/mol:	439.139567
ΔH_f, kcal/mol:	-77.42
Dipole, Da:	6.6
IP(EA), eV:	-8.53(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(3S)-2-(2,2-diphenylacetyl)-5-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)NNC5=CC=CC=C5Br

DOS

IR

Vibrations