Geometry & MOs

Info

ID:	188829
PubChem CID:	77772088
Reduced:	SO3N7C26H27 (1)
Stoich.:	AB3C7D26E27 (1)
Weight, g/mol:	523.247107
ΔH_f, kcal/mol:	6.56
Dipole, Da:	11.65
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)amino]-4-oxo-2-[1-(4-phenylphenyl)pyrrol-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1CC(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC=CC(=C4)C(=N)N

DOS

IR

Vibrations