Geometry & MOs

Info

ID:	128260
PubChem CID:	51036909
Reduced:	O2N3F6C22H27 (1)
Stoich.:	A2B3C6D22E27 (1)
Weight, g/mol:	451.169446
ΔH_f, kcal/mol:	-414.93
Dipole, Da:	3.26
IP(EA), eV:	-9.27(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(1R,2S)-2-aminocyclohexanecarbonyl]azetidin-3-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C(=O)N2CCC(CC2)CNC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

DOS

IR

Vibrations