Geometry & MOs

Info

ID:	218237
PubChem CID:	85089072
Reduced:	SeO3C24H26 (1)
Stoich.:	AB3C24D26 (1)
Weight, g/mol:	445.192546
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	2.67
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=CCCC2(OCCO2)CC(=O)[Se]C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations