Geometry & MOs

Info

ID:	33837
PubChem CID:	7888373
Reduced:	ClFN2O4H18C20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-179.87
Dipole, Da:	5.01
IP(EA), eV:	-9.2(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations