Geometry & MOs

Info

ID:	231963
PubChem CID:	87575010
Reduced:	ClSO4C9H15 (1)
Stoich.:	ABC4D9E15 (1)
Weight, g/mol:	545.191324
ΔH_f, kcal/mol:	-183.4
Dipole, Da:	5.62
IP(EA), eV:	-10.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-1-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1CC1S(=O)(=O)Cl

DOS

IR

Vibrations