Geometry & MOs

Info

ID:	441721
PubChem CID:	135241967
Reduced:	O2N8H22C23 (1)
Stoich.:	A2B8C22D23 (1)
Weight, g/mol:	728.197949
ΔH_f, kcal/mol:	88.49
Dipole, Da:	10.17
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-3-carbonyl]amino]-2-phenylmethoxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4OC)C#N)N)O

DOS

IR

Vibrations