Geometry & MOs

Info

ID:

222700

PubChem CID:

85328166

Reduced:

O8N9C34H51 (1)

Stoich.:

A8B9C34D51 (1)

Weight, g/mol:

528.240641

ΔHf, kcal/mol:

-360.97

Dipole, Da:

6.0

IP(EA), eV:

 -9.6(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations