Geometry & MOs

Info

ID:	244130
PubChem CID:	99319084
Reduced:	ClF2N3O3H14C19 (1)
Stoich.:	AB2C3D3E14F19 (1)
Weight, g/mol:	479.06561
ΔH_f, kcal/mol:	-111.61
Dipole, Da:	2.51
IP(EA), eV:	-9.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-bromo-3-methylphenyl)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=NO2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F)Cl

DOS

IR

Vibrations