Geometry & MOs

Info

ID:	169396
PubChem CID:	75099800
Reduced:	SN2F3O5C29H31 (1)
Stoich.:	AB2C3D5E29F31 (1)
Weight, g/mol:	527.178726
ΔH_f, kcal/mol:	-275.79
Dipole, Da:	5.06
IP(EA), eV:	-8.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(3-chlorophenyl)methyl]-4-[(2,5-difluorophenyl)methylamino]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN(C3CCCCNC3=O)C(=O)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations