Geometry & MOs

Info

ID:	443139
PubChem CID:	135257833
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	681.208454
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	5.12
IP(EA), eV:	-8.44(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(4-cyclopentylphenyl)methyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfanyl-N-[4-(phenylmethoxycarbamoyl)phenyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC/C(=N/S(=O)C(C)(C)C)/C[C@@H](C)O

DOS

IR

Vibrations