Geometry & MOs

Info

ID:	64073
PubChem CID:	29195998
Reduced:	ClFSN3O3C16H23 (1)
Stoich.:	ABCD3E3F16G23 (1)
Weight, g/mol:	412.041519
ΔH_f, kcal/mol:	-166.82
Dipole, Da:	3.72
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)CCCCl)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations