Geometry & MOs

Info

ID:	219563
PubChem CID:	85149193
Reduced:	ClO2F3N7C27H27 (1)
Stoich.:	AB2C3D7E27F27 (1)
Weight, g/mol:	569.161314
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	15.33
IP(EA), eV:	-8.66(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-methylbutanoyl)-N-[1-bis(4-chlorophenoxy)phosphoryl-2-methylpropyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C5NNNN5

DOS

IR

Vibrations