Geometry & MOs

Info

ID:	402654
PubChem CID:	135056740
Reduced:	ClOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	500.155906
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	3.46
IP(EA), eV:	-9.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-3-[(1R)-1-hydroxy-2-oxopropyl]-3-(4-methoxyanilino)-5-(trifluoromethoxy)indol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C)COC(C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations