Geometry & MOs

Info

ID:	268439
PubChem CID:	103599373
Reduced:	S2O3N4C20H20 (1)
Stoich.:	A2B3C4D20E20 (1)
Weight, g/mol:	416.164854
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	3.05
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3-[2-(3-pyridin-4-ylprop-2-enoyl)-3,4-dihydro-1H-isoquinolin-5-yl]urea

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CC=NC=C2)NC(=O)C=CC3=CC=C(C=C3)NS(=O)(=O)C

DOS

IR

Vibrations