Geometry & MOs

Info

ID:	394950
PubChem CID:	135024224
Reduced:	O2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	594.117666
ΔH_f, kcal/mol:	-192.66
Dipole, Da:	5.16
IP(EA), eV:	-8.93(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclohexyl]-3,5-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C(=COC)[C@H]1CCC(=O)C)[C@@H](C)C(=O)O

DOS

IR

Vibrations