Geometry & MOs

Info

ID:	314070
PubChem CID:	126620276
Reduced:	ISO3N5C25H28 (1)
Stoich.:	ABC3D5E25F28 (1)
Weight, g/mol:	577.1186
ΔH_f, kcal/mol:	-19.25
Dipole, Da:	2.11
IP(EA), eV:	-9.31(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-[2-(4-iodopyrazol-1-yl)-3-methylbutanoyl]-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C4CCC4)N5C=C(C=N5)I)O

DOS

IR

Vibrations