Geometry & MOs

Info

ID:	443105
PubChem CID:	135257719
Reduced:	ClNSO3F5H9C11 (1)
Stoich.:	ABCD3E5F9G11 (1)
Weight, g/mol:	646.178551
ΔH_f, kcal/mol:	-326.43
Dipole, Da:	2.88
IP(EA), eV:	-10.08(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(4-cyclohexylphenyl)methyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-N-[4-(2H-tetrazol-5-yl)phenyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)Cl)N(C)S(=O)(=O)C1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations