Geometry & MOs

Info

ID:	243688
PubChem CID:	99233990
Reduced:	ClN2S2O3C18H27 (1)
Stoich.:	AB2C2D3E18F27 (1)
Weight, g/mol:	469.218841
ΔH_f, kcal/mol:	-152.28
Dipole, Da:	3.41
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(3S)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)CSCC2=CC=C(S2)Cl

DOS

IR

Vibrations