Geometry & MOs

Info

ID:	187586
PubChem CID:	77594034
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	559.358549
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	8.01
IP(EA), eV:	-9.49(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-tert-butyl-2-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(S1)CC2=C3CCCCC3C(=O)N=N2

DOS

IR

Vibrations