Geometry & MOs

Info

ID:	192656
PubChem CID:	78297188
Reduced:	SO3N5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	496.214427
ΔH_f, kcal/mol:	-65.72
Dipole, Da:	13.11
IP(EA), eV:	-9.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylbenzoyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2CC(N(C2C3=NC=CS3)C(=O)C4=CC=C(C=C4)C(C)(C)C)(CC(C)C)C(=O)O

DOS

IR

Vibrations