Geometry & MOs

Info

ID:	64106
PubChem CID:	29196167
Reduced:	ClSN2O4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	478.05619
ΔH_f, kcal/mol:	-147.69
Dipole, Da:	4.77
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@H](C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations