Geometry & MOs

Info

ID:	226039
PubChem CID:	87250285
Reduced:	ClSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	623.0316
ΔH_f, kcal/mol:	-95.22
Dipole, Da:	6.21
IP(EA), eV:	-10.55(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCCCCC1.C1=CC=C(C=C1)S(=O)(=O)Cl

DOS

IR

Vibrations