Geometry & MOs

Info

ID:	223847
PubChem CID:	85335652
Reduced:	SF3N6O6C25H29 (1)
Stoich.:	AB3C6D6E25F29 (1)
Weight, g/mol:	598.163742
ΔH_f, kcal/mol:	-238.68
Dipole, Da:	4.24
IP(EA), eV:	-9.62(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[(3,4-dimethoxyphenyl)methyl]cyclopentanecarbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COCCN=C(NC#N)N1CCC(CC1)CC(C(=O)NO)NS(=O)(=O)C2=CC(=C(C(=C2)F)OC3=CC=C(C=C3)F)F

DOS

IR

Vibrations