Geometry & MOs

Info

ID:	55368
PubChem CID:	17395298
Reduced:	N2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	2.2
IP(EA), eV:	-8.6(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)O)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations