Geometry & MOs

Info

ID:	244139
PubChem CID:	99319096
Reduced:	ClF2N3O4C22H22 (1)
Stoich.:	AB2C3D4E22F22 (1)
Weight, g/mol:	465.12669
ΔH_f, kcal/mol:	-224.58
Dipole, Da:	4.61
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC[C@@H]2C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations