Geometry & MOs

Info

ID:	225640
PubChem CID:	87219110
Reduced:	SN3O4C28H35 (1)
Stoich.:	AB3C4D28E35 (1)
Weight, g/mol:	514.202776
ΔH_f, kcal/mol:	-142.64
Dipole, Da:	2.96
IP(EA), eV:	-8.47(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-butyl-5-[[(2R)-1-(3,4-difluorophenyl)-4-(hydroxyamino)-4-oxobutan-2-yl]carbamoyl]imidazol-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NC1=NC=C(S1)C2=CC=CC=C2COC3=CC=CC(=C3)C)NC(=O)[C@H](C(C)(C)C)O

DOS

IR

Vibrations