Geometry & MOs

Info

ID:	438706
PubChem CID:	135228457
Reduced:	F3N3O3C22H24 (1)
Stoich.:	A3B3C3D22E24 (1)
Weight, g/mol:	445.181313
ΔH_f, kcal/mol:	-221.94
Dipole, Da:	6.24
IP(EA), eV:	-9.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide

Drug info:

PubChemData

Smile

C1[C@@H](C(CN1)C(=O)NCC2=CC3=C(C=C2)OCO3)CNCC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations