Geometry & MOs

Info

ID:	162108
PubChem CID:	57393641
Reduced:	ClSF3N4O4C18H18 (1)
Stoich.:	ABC3D4E4F18G18 (1)
Weight, g/mol:	470.25292
ΔH_f, kcal/mol:	-306.52
Dipole, Da:	7.02
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[1-[2-(2-phenoxyacetyl)oxycyclohexyl]triazol-4-yl]methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F)O

DOS

IR

Vibrations