Geometry & MOs

Info

ID:	322952
PubChem CID:	126671638
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-112.64
Dipole, Da:	2.41
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)OC(C)(C)C)O

DOS

IR

Vibrations