Geometry & MOs

Info

ID:	443041
PubChem CID:	135257514
Reduced:	ClNSO3F5H7C10 (1)
Stoich.:	ABCD3E5F7G10 (1)
Weight, g/mol:	729.229583
ΔH_f, kcal/mol:	-321.2
Dipole, Da:	2.68
IP(EA), eV:	-10.11(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[(2R)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanoyl]amino]-N-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)Cl)N(C)S(=O)(=O)C1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations