Geometry & MOs

Info

ID:	228699
PubChem CID:	87565566
Reduced:	PF2N2O6C28H31 (1)
Stoich.:	AB2C2D6E28F31 (1)
Weight, g/mol:	508.199171
ΔH_f, kcal/mol:	-363.44
Dipole, Da:	3.68
IP(EA), eV:	-9.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-butyl-5-[[2-(hydroxyamino)-2-oxoethyl]-(3-methylsulfonylbutyl)carbamoyl]imidazol-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations