Geometry & MOs

Info

ID:	59433
PubChem CID:	24865237
Reduced:	O8H18C21 (1)
Stoich.:	A8B18C21 (1)
Weight, g/mol:	498.176642
ΔH_f, kcal/mol:	-285.79
Dipole, Da:	8.96
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(S)-hydroxy-[4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]phenyl]methyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC(=C(C(=C4)O)O)O)C

DOS

IR

Vibrations