Geometry & MOs

Info

ID:	80449
PubChem CID:	49834516
Reduced:	F3N8H31C36 (1)
Stoich.:	A3B8C31D36 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	26.38
Dipole, Da:	2.47
IP(EA), eV:	-8.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-ethyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-1-methylpyrazole-3-sulfonamide

Drug info:

PubChemData

Smile

CN(C)CCC1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4)C5=CC6=C(C=C5)N=C(N6)CC7=CC=CC=C7C(F)(F)F

DOS

IR

Vibrations