Geometry & MOs

Info

ID:	57415
PubChem CID:	22395864
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	544.047392
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	8.33
IP(EA), eV:	-9.82(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropanoyl]oxyamino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C=N1

DOS

IR

Vibrations