Geometry & MOs

Info

ID:	139896
PubChem CID:	52613866
Reduced:	SO4N5H17C22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	432.184921
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	4.63
IP(EA), eV:	-9.59(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[2-methoxy-5-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=CC(=C4)[C@]5(C(=O)NC(=O)N5)C

DOS

IR

Vibrations