Geometry & MOs

Info

ID:	352835
PubChem CID:	127283925
Reduced:	SO4N5C17H21 (1)
Stoich.:	AB4C5D17E21 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-50.38
Dipole, Da:	3.04
IP(EA), eV:	-9.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(N=C3)ON=C4C)C

DOS

IR

Vibrations