Geometry & MOs

Info

ID:	76683
PubChem CID:	48425238
Reduced:	SCl2N2O2F3C14H17 (1)
Stoich.:	AB2C2D2E3F14G17 (1)
Weight, g/mol:	417.187541
ΔH_f, kcal/mol:	-222.97
Dipole, Da:	4.6
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations