Geometry & MOs

Info

ID:	163358
PubChem CID:	57841336
Reduced:	ClFNO4H23C32 (1)
Stoich.:	ABCD4E23F32 (1)
Weight, g/mol:	509.139386
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	2.43
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[2-(4-chlorophenyl)ethynyl]phenyl]methyl-(3-phenylpropanoyl)amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1(OC2=C(C=C(C=C2)N(CC3=CC=C(C=C3)C#CC4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC=C5)F)C(=O)O1)C

DOS

IR

Vibrations