Geometry & MOs

Info

ID:	164079
PubChem CID:	74381800
Reduced:	ClNSO4C25H30 (1)
Stoich.:	ABCD4E25F30 (1)
Weight, g/mol:	690.19984
ΔH_f, kcal/mol:	-165.37
Dipole, Da:	4.72
IP(EA), eV:	-9.22(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(C)C1C(OC(=O)N1C(=O)C(C(C2=CC=C(C=C2)Cl)OC)C(C3=CC=CC=C3)S)(C)C

DOS

IR

Vibrations