Geometry & MOs

Info

ID:	169048
PubChem CID:	75059294
Reduced:	ClFN2S3O5H20C23 (1)
Stoich.:	ABC2D3E5F20G23 (1)
Weight, g/mol:	537.380466
ΔH_f, kcal/mol:	-148.51
Dipole, Da:	9.24
IP(EA), eV:	-8.74(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,6-dimethylheptan-2-yl-[3-[[3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-hydroxy-4-phenylbutyl]azanium

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C=CC4=CC=C(S4)Cl)F

DOS

IR

Vibrations