Geometry & MOs

Info

ID:	80632
PubChem CID:	49835629
Reduced:	ClSN2F3O4C18H18 (1)
Stoich.:	ABC2D3E4F18G18 (1)
Weight, g/mol:	526.094091
ΔH_f, kcal/mol:	-263.43
Dipole, Da:	5.51
IP(EA), eV:	-10.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S)-4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@H]1C(=O)NC2(CC2)C#N)S(=O)(=O)C3=C(C=C(C=C3)OCC(F)(F)F)Cl

DOS

IR

Vibrations